5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile

C16H9F2N7 — CID 134499746

IUPAC5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1n[nH]c(-c2nn(Cc3cccc(F)c3F)c3ncccc23)n1
InChIInChI=1S/C16H9F2N7/c17-11-5-1-3-9(13(11)18)8-25-16-10(4-2-6-20-16)14(24-25)15-21-12(7-19)22-23-15/h1-6H,8H2,(H,21,22,23)
InChIKeyQLEWKCSROGXBJC-UHFFFAOYSA-N
MW337.29 g/mol
LogP2.41
Rot. Bonds3

About 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile

5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile (PubChem CID 134499746) has the molecular formula C16H9F2N7 and a molecular weight of 337.29 g/mol. Its IUPAC name is 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile
PubChem CID134499746
Molecular FormulaC16H9F2N7
Molecular Weight337.29 g/mol
Exact Mass337.09
IUPAC Name5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1n[nH]c(-c2nn(Cc3cccc(F)c3F)c3ncccc23)n1
InChIInChI=1S/C16H9F2N7/c17-11-5-1-3-9(13(11)18)8-25-16-10(4-2-6-20-16)14(24-25)15-21-12(7-19)22-23-15/h1-6H,8H2,(H,21,22,23)
InChIKeyQLEWKCSROGXBJC-UHFFFAOYSA-N
XLogP2.41
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile 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 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile (CID 134499746) is 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile is N#Cc1n[nH]c(-c2nn(Cc3cccc(F)c3F)c3ncccc23)n1.
What is the InChIKey of 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile?
The InChIKey is QLEWKCSROGXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N7/c17-11-5-1-3-9(13(11)18)8-25-16-10(4-2-6-20-16)14(24-25)15-21-12(7-19)22-23-15/h1-6H,8H2,(H,21,22,23).
What are the key properties of 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile?
5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile has a molecular weight of 337.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 134499746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).