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

C24H22FN7OS — CID 171848582

IUPAC6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCCC(n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C1
InChIInChI=1S/C24H22FN7OS/c1-15-20(12-29-32(15)19-5-4-8-30(14-19)16(2)33)17-9-22(34-24-21(25)6-3-7-27-24)23-18(10-26)11-28-31(23)13-17/h3,6-7,9,11-13,19H,4-5,8,14H2,1-2H3
InChIKeyKZIGNMYTIHMHIV-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.25
Rot. Bonds4

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

6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848582) has the molecular formula C24H22FN7OS and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848582
Molecular FormulaC24H22FN7OS
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCCC(n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C1
InChIInChI=1S/C24H22FN7OS/c1-15-20(12-29-32(15)19-5-4-8-30(14-19)16(2)33)17-9-22(34-24-21(25)6-3-7-27-24)23-18(10-26)11-28-31(23)13-17/h3,6-7,9,11-13,19H,4-5,8,14H2,1-2H3
InChIKeyKZIGNMYTIHMHIV-UHFFFAOYSA-N
XLogP4.25
TPSA92.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-[1-[(3S)-1-acetylpiperidin-3-yl]-5-methylpyrazol-4-yl]-4-[(3,5-difluoro-6-methyl-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847974
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-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
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
6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847539
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847907
methyl (3S)-3-[4-[3-cyano-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 171847831
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
N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide
CID 175632294
N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide
CID 175632382
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

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=O)N1CCCC(n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C1.
What is the InChIKey of 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KZIGNMYTIHMHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7OS/c1-15-20(12-29-32(15)19-5-4-8-30(14-19)16(2)33)17-9-22(34-24-21(25)6-3-7-27-24)23-18(10-26)11-28-31(23)13-17/h3,6-7,9,11-13,19H,4-5,8,14H2,1-2H3.
What are the key properties of 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 475.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).