1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid

C15H10N4O2 — CID 82589444

IUPAC1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cn2nc(C(=O)O)c3cccnc32)cc1
InChIInChI=1S/C15H10N4O2/c16-8-10-3-5-11(6-4-10)9-19-14-12(2-1-7-17-14)13(18-19)15(20)21/h1-7H,9H2,(H,20,21)
InChIKeyWQDXOCVWXYDIRB-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.05
Rot. Bonds3

About 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid

1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 82589444) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID82589444
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cn2nc(C(=O)O)c3cccnc32)cc1
InChIInChI=1S/C15H10N4O2/c16-8-10-3-5-11(6-4-10)9-19-14-12(2-1-7-17-14)13(18-19)15(20)21/h1-7H,9H2,(H,20,21)
InChIKeyWQDXOCVWXYDIRB-UHFFFAOYSA-N
XLogP2.05
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
3-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
CID 721046
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731
7-(1,5-dimethyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774543
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
7-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776266

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 82589444) is 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid is N#Cc1ccc(Cn2nc(C(=O)O)c3cccnc32)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is WQDXOCVWXYDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-8-10-3-5-11(6-4-10)9-19-14-12(2-1-7-17-14)13(18-19)15(20)21/h1-7H,9H2,(H,20,21).
What are the key properties of 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 82589444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).