4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H8FN7S — CID 171847909

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2cn[nH]n2)cn2ncc(C#N)c12
InChIInChI=1S/C17H8FN7S/c18-13-1-2-15(10(3-13)5-19)26-16-4-11(14-8-21-24-23-14)9-25-17(16)12(6-20)7-22-25/h1-4,7-9H,(H,21,23,24)
InChIKeyKRNJQKLMPWSYGG-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.15
Rot. Bonds3

About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847909) has the molecular formula C17H8FN7S and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847909
Molecular FormulaC17H8FN7S
Molecular Weight361.37 g/mol
Exact Mass361.05
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2cn[nH]n2)cn2ncc(C#N)c12
InChIInChI=1S/C17H8FN7S/c18-13-1-2-15(10(3-13)5-19)26-16-4-11(14-8-21-24-23-14)9-25-17(16)12(6-20)7-22-25/h1-4,7-9H,(H,21,23,24)
InChIKeyKRNJQKLMPWSYGG-UHFFFAOYSA-N
XLogP3.15
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847909) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1Sc1cc(-c2cn[nH]n2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KRNJQKLMPWSYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8FN7S/c18-13-1-2-15(10(3-13)5-19)26-16-4-11(14-8-21-24-23-14)9-25-17(16)12(6-20)7-22-25/h1-4,7-9H,(H,21,23,24).
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 361.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).