4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid

C17H13N5O3 — CID 136817811

IUPAC4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1nccn1-c1ccccc1
InChIInChI=1S/C17H13N5O3/c1-10-9-12(23)19-15-13(10)14(16(24)25)20-22(15)17-18-7-8-21(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,23)(H,24,25)
InChIKeyKZRLYWNNTIZRRK-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.91
Rot. Bonds3

About 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid

4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 136817811) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID136817811
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1nccn1-c1ccccc1
InChIInChI=1S/C17H13N5O3/c1-10-9-12(23)19-15-13(10)14(16(24)25)20-22(15)17-18-7-8-21(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,23)(H,24,25)
InChIKeyKZRLYWNNTIZRRK-UHFFFAOYSA-N
XLogP1.91
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817813
4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
CID 135848103
3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734250
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175811196
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
1-methyl-4-(1-phenylimidazol-2-yl)piperazine
CID 21029534
1-(3-chloro-4-methylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 18802040

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 136817811) is 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid is Cc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1nccn1-c1ccccc1.
What is the InChIKey of 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is KZRLYWNNTIZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-10-9-12(23)19-15-13(10)14(16(24)25)20-22(15)17-18-7-8-21(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,23)(H,24,25).
What are the key properties of 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 136817811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).