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

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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).