4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid

C18H10N4O3 — CID 67074198

IUPAC4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid
SMILESN#Cc1c(-c2ccc(C(=O)O)cc2)nc2[nH]ncc2c1-c1ccco1
InChIInChI=1S/C18H10N4O3/c19-8-12-15(14-2-1-7-25-14)13-9-20-22-17(13)21-16(12)10-3-5-11(6-4-10)18(23)24/h1-7,9H,(H,23,24)(H,20,21,22)
InChIKeyAUNCNFNOAHHONP-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.45
Rot. Bonds3

About 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid

4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid (PubChem CID 67074198) has the molecular formula C18H10N4O3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid
PubChem CID67074198
Molecular FormulaC18H10N4O3
Molecular Weight330.30 g/mol
Exact Mass330.08
IUPAC Name4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid
SMILESN#Cc1c(-c2ccc(C(=O)O)cc2)nc2[nH]ncc2c1-c1ccco1
InChIInChI=1S/C18H10N4O3/c19-8-12-15(14-2-1-7-25-14)13-9-20-22-17(13)21-16(12)10-3-5-11(6-4-10)18(23)24/h1-7,9H,(H,23,24)(H,20,21,22)
InChIKeyAUNCNFNOAHHONP-UHFFFAOYSA-N
XLogP3.45
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid?
The IUPAC name of 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid (CID 67074198) is 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid.
What is the SMILES notation for 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid?
The canonical SMILES for 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid is N#Cc1c(-c2ccc(C(=O)O)cc2)nc2[nH]ncc2c1-c1ccco1.
What is the InChIKey of 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid?
The InChIKey is AUNCNFNOAHHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O3/c19-8-12-15(14-2-1-7-25-14)13-9-20-22-17(13)21-16(12)10-3-5-11(6-4-10)18(23)24/h1-7,9H,(H,23,24)(H,20,21,22).
What are the key properties of 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid?
4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid has a molecular weight of 330.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyano-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid is sourced from PubChem (CID 67074198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).