Login

Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate | CAS No. 625115-52-8

Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

625115-52-8

Molecular Formula

C19H17FN8O2

Molecular Weight

408.4 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.58±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (4.0E-3 g/L) (25 ºC),

SMILES

View in Editor

COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N

InChI

InChI=1S/C19H17FN8O2/c1-30-19(29)24-14-15(21)25-17(26-16(14)22)13-11-6-4-8-23-18(11)28(27-13)9-10-5-2-3-7-12(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)

InChIKey

FTQHGWIXJSSWOY-UHFFFAOYSA-N

LogP

2.4183999999999997

Topological Polar Surface Area

146.86 Ų

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

589

Synonyms & References

English

  • Nelociguat [INN]
  • methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
  • Carbamic acid, (4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-, methyl ester
  • RIOCIGUAT METABOLITE M1
  • Carbamic acid, N-(4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-, methyl ester
  • HY-78237
  • CHEMBL4072580
  • Methyl(4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate
  • CHEBI:149785
  • MS-27009
  • NELOCIGUAT [WHO-DD]
  • FTQHGWIXJSSWOY-UHFFFAOYSA-N
  • BAY60-4552
  • Methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate
  • SCHEMBL248358
  • AMY7846
  • Methyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate
  • nelociguatum
  • Bay-60-4552
  • N-Desmethyl riociguat
  • UNII-M2A18LL56O
  • Methyl (4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-5-yl)carbamate
  • AKOS022186224
  • Q27283388
  • CS-M2183
  • N-Desmethyl-riociguat
  • SB17528
  • methyl (4,6-diamino-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-5-yl)carbamate
  • Bay 60-4552
  • BCP16721
  • methyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo-[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate

MDL Number

MFCD22741546

FAQ

What are the physical and chemical properties of Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8)?
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8) is a crystalline solid with a molecular weight of approximately 506.35 g/mol. It has a low solubility in water but is soluble in organic solvents like acetonitrile and dimethylformamide. The compound shows moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8) typically synthesized?
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8) is typically synthesized via a multi-step process involving the condensation of 2-fluorobenzylamine with 1H-pyrazolo[3,4-b]pyridin-3-carbaldehyde, followed by treatment with dimethylcarbamoyl chloride. The reaction is conducted in the presence of a suitable base and catalyst, yielding a high yield of the target compound with good selectivity.

What industries use Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8)?
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8) is used in the pharmaceutical industry for its potential as a drug intermediate. It may also find application in the development of sensors and in the synthesis of other organic compounds. Its specific utility in polymers and semiconductors has not been widely reported, but its structural complexity suggests potential in these areas.

What precautions should be taken when handling Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8)?
When handling Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate (CAS: 625115-52-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using an appropriate absorbent material, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

NaJingJiShi Biotechnology Co Ltd

CAS Number: 625115-52-8

View Details

Suzhou Keyuan Medicine Technology Co., Ltd.

CAS Number: 625115-52-8

View Details

Shenzhen Hefeng Wandatai Medicine Technology Co., Ltd

CAS Number: 625115-52-8

View Details
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 625115-52-8

View Details
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 625115-52-8

View Details
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate — ShenZhenZhenJiangShengWuJiShu Co Ltd

ShenZhenZhenJiangShengWuJiShu Co Ltd

CAS Number: 625115-52-8

View Details

ShenZhenShiLuoKeShengHua Technology Co Ltd

CAS Number: 625115-52-8

View Details

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 625115-52-8

View Details

Shandong Weiwei Chemical Co., Ltd.

CAS Number: 625115-52-8

View Details

Shanghai Mofu Medicine Technology Co., Ltd.

CAS Number: 625115-52-8

View Details
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 625115-52-8

View Details

Nanjing Zefeng Biopharm Technology Co., Ltd.

CAS Number: 625115-52-8

View Details

SuZhouHaoXiangHuaXue Technology Co Ltd

CAS Number: 625115-52-8

View Details

ShangHaiChaoLanHuaGongKeJiZhongXin

CAS Number: 625115-52-8

View Details

Shanghai Bohui Meike Chemical Technology Co., Ltd.

CAS Number: 625115-52-8

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.