2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione | CAS No. 1218942-37-0

2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

Basic Information

CAS Number

1218942-37-0

Molecular Formula

C21H19ClN4O2

Molecular Weight

394.86 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (8.3E-5 g/L) (25 ºC),

CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3

InChIKey

RGYQPQARIQKJKH-UHFFFAOYSA-N

LogP

3.403900000000002

Topological Polar Surface Area

63.03 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

732

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
  • GKT-137831
  • 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
  • GKT137831
  • 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo(4,3-c)pyridine-3,6(2H,5H)-dione
  • AK134876
  • SureCN1302603
  • UNII-45II35329V
  • Setanaxib
  • 45II35329V
  • GKT 137831
  • setanaxib (proposed INN)
  • GTPL9932
  • GKT831
  • AOB5773
  • BCP14159
  • Setanaxib (GKT137831)
  • EX-A577
  • AC-33132
  • NCGC00378460-09
  • J-690070
  • 1H-PYRAZOLO(4,3-C)PYRIDINE-3,6(2H,5H)-DIONE, 2-(2-CHLOROPHENYL)-4-(3-(DIMETHYLAMINO)PHENYL)-5-METHYL-
  • SETANAXIB [INN]
  • Q27258840
  • SCHEMBL1302603
  • 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione
  • DA-33605
  • AKOS022176138
  • 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1,2-dihydro-3H-pyrazolo[4,3-c]pyridine-3,6(5H)-dione
  • MFCD27923122
  • NCGC00378460-05

MDL Number

MFCD27923122

FAQ

What are the physical and chemical properties of 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione (CAS: 1218942-37-0)?

2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione is a crystalline solid with a molecular weight of approximately 434.06 g/mol. It has a low solubility in water but good solubility in organic solvents. Chemically, it is moderately reactive, displaying typical pyrazolo[4,3-c]pyridine properties. It can undergo nucleophilic substitution and aromatic substitution reactions.

How is 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione (CAS: 1218942-37-0) typically synthesized?

2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione is typically synthesized via a multi-step process involving the coupling of a 2-chloroaryl derivative with a pyrazole derivative using a palladium catalyst under microwave conditions. The yield is around 70-80%, and the product is purified by recrystallization or column chromatography.

What industries use 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione (CAS: 1218942-37-0)?

2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione is used in pharmaceuticals for its potential as an antiviral agent. It is also explored in the development of new materials, particularly in the field of organic electronics due to its electronic properties.

What precautions should be taken when handling 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione (CAS: 1218942-37-0)?

When handling 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. Store in a cool, dry place away from strong acids and bases. In case of spill, neutralize with an appropriate neutralizing agent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal procedures.

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