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

C15H8FN7S — CID 171848119

IUPAC4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cn[nH]n3)cc(Sc3ncccc3F)c12
InChIInChI=1S/C15H8FN7S/c16-11-2-1-3-18-15(11)24-13-4-9(12-7-19-22-21-12)8-23-14(13)10(5-17)6-20-23/h1-4,6-8H,(H,19,21,22)
InChIKeyCIESGAMFHCUQAA-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.68
Rot. Bonds3

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

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848119) has the molecular formula C15H8FN7S and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848119
Molecular FormulaC15H8FN7S
Molecular Weight337.34 g/mol
Exact Mass337.05
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cn[nH]n3)cc(Sc3ncccc3F)c12
InChIInChI=1S/C15H8FN7S/c16-11-2-1-3-18-15(11)24-13-4-9(12-7-19-22-21-12)8-23-14(13)10(5-17)6-20-23/h1-4,6-8H,(H,19,21,22)
InChIKeyCIESGAMFHCUQAA-UHFFFAOYSA-N
XLogP2.68
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848119) is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cn[nH]n3)cc(Sc3ncccc3F)c12.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CIESGAMFHCUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN7S/c16-11-2-1-3-18-15(11)24-13-4-9(12-7-19-22-21-12)8-23-14(13)10(5-17)6-20-23/h1-4,6-8H,(H,19,21,22).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 337.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-(2H-triazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).