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

C16H8F2N6S — CID 171848516

IUPAC6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cn[nH]c3F)cc(Sc3ncccc3F)c12
InChIInChI=1S/C16H8F2N6S/c17-12-2-1-3-20-16(12)25-13-4-9(11-7-21-23-15(11)18)8-24-14(13)10(5-19)6-22-24/h1-4,6-8H,(H,21,23)
InChIKeyJZGWWPQMOIQMMY-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.42
Rot. Bonds3

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

6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848516) has the molecular formula C16H8F2N6S and a molecular weight of 354.35 g/mol. Its IUPAC name is 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848516
Molecular FormulaC16H8F2N6S
Molecular Weight354.35 g/mol
Exact Mass354.05
IUPAC Name6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cn[nH]c3F)cc(Sc3ncccc3F)c12
InChIInChI=1S/C16H8F2N6S/c17-12-2-1-3-20-16(12)25-13-4-9(11-7-21-23-15(11)18)8-24-14(13)10(5-19)6-22-24/h1-4,6-8H,(H,21,23)
InChIKeyJZGWWPQMOIQMMY-UHFFFAOYSA-N
XLogP3.42
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171847982
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848619
6-[1-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848453
6-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847964
6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848225
6-[1-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848503
6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848562
6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848582
N-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 171847958
2-amino-N,N-dimethylacetamide;6-(1-cyclohexyl-5-methylpyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848509

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848516) is 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cn[nH]c3F)cc(Sc3ncccc3F)c12.
What is the InChIKey of 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JZGWWPQMOIQMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N6S/c17-12-2-1-3-20-16(12)25-13-4-9(11-7-21-23-15(11)18)8-24-14(13)10(5-19)6-22-24/h1-4,6-8H,(H,21,23).
What are the key properties of 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 354.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).