1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C16H12ClN3O3 — CID 170916799

IUPAC1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23)
InChIKeyVUWKXQJTFRVLFL-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 170916799) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID170916799
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23)
InChIKeyVUWKXQJTFRVLFL-UHFFFAOYSA-N
XLogP2.94
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl)amino)benzoic acid
CID 2727740
1-(4-Chlorophenyl)-3-methyl-1,4,5,8-tetrahydropyrazolo[3,4-b]azepine-4,7-dicarboxylic acid
CID 138753481
1-(2-Chlorophenyl)-3-methyl-1,4,5,8-tetrahydropyrazolo[3,4-b]azepine-4,7-dicarboxylic acid
CID 138753489
3-Cyclopropyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-B]pyridine-4-carboxylic acid
CID 167735086
1-(3-Fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 170916889
1-(2-fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135650100
5-[(2-Chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 69152783
5-[(2-Chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
CID 69152829
5-[(2-Chlorobenzoyl)amino]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 69153579
4-[5-[(4-Chlorophenyl)carbamoylamino]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 90739543
ethyl 1-(4-fluorophenyl)-6-oxo-3-pentan-3-yl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166163666
5-[[2-(3-Chlorophenyl)-5-methylpyrazol-3-yl]amino]-2-fluorobenzoic acid
CID 110452764

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 170916799) is 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is VUWKXQJTFRVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 170916799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).