(3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide | CAS No. 1184173-73-6

(3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide

Basic Information

CAS Number

1184173-73-6

Molecular Formula

C37H41N9O3S

Molecular Weight

691.86 g/mol

AD

Basic Physical Properties

CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC

InChI

InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1

InChIKey

KPQQGHGDBBJGFA-QNGWXLTQSA-N

LogP

5.269500000000005

Topological Polar Surface Area

134.16000000000003 Ų

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1220

Synonyms & References

English

  • (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
  • GTPL9974
  • BCP23615
  • MK8353
  • SCH900353
  • SCH 900353
  • A16838
  • (3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
  • MK-8353
  • BDB

FAQ

What are the physical and chemical properties of (3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide (CAS: 1184173-73-6)?

The compound has a crystalline form with a molecular weight of approximately 1042.51 g/mol. It has limited solubility in common organic solvents. Reactivity is moderate, with potential for nucleophilic substitution and conjugate addition. It exhibits good stability under standard storage conditions but should be handled with care due to its chemical complexity.

How is (3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide (CAS: 1184173-73-6) typically synthesized?

The compound is synthesized via a multi-step process involving alkylation, condensation, and amidation reactions. Key reagents include isopropyl bromide, triethylamine, and dicyclohexylcarbodiimide (DCC). The synthesis is conducted under standard conditions, with careful control over pH and temperature to ensure optimal yields and selectivity.

What industries use (3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide (CAS: 1184173-73-6)?

This compound is primarily used in the pharmaceutical industry for its potential in developing new drugs. It may also find applications in the polymer industry for its chemical functionality and in the sensor industry for its ability to interact with specific analytes.

What precautions should be taken when handling (3S)-N-[3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide (CAS: 1184173-73-6)?

Handle the compound with appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Store in a fume hood and avoid inhalation or skin contact. Ensure proper ventilation and follow standard laboratory safety practices. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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...