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

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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).