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

C24H24FN7S — CID 171848562

IUPAC6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nn(C2CCN(C)CC2)c(C)c1-c1cc(Sc2ncccc2F)c2c(C#N)cnn2c1
InChIInChI=1S/C24H24FN7S/c1-15-22(16(2)32(29-15)19-6-9-30(3)10-7-19)17-11-21(33-24-20(25)5-4-8-27-24)23-18(12-26)13-28-31(23)14-17/h4-5,8,11,13-14,19H,6-7,9-10H2,1-3H3
InChIKeyIFGQIXTXQFNTBP-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.64
Rot. Bonds4

About 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

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 (PubChem CID 171848562) has the molecular formula C24H24FN7S and a molecular weight of 461.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848562
Molecular FormulaC24H24FN7S
Molecular Weight461.57 g/mol
Exact Mass461.18
IUPAC Name6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nn(C2CCN(C)CC2)c(C)c1-c1cc(Sc2ncccc2F)c2c(C#N)cnn2c1
InChIInChI=1S/C24H24FN7S/c1-15-22(16(2)32(29-15)19-6-9-30(3)10-7-19)17-11-21(33-24-20(25)5-4-8-27-24)23-18(12-26)13-28-31(23)14-17/h4-5,8,11,13-14,19H,6-7,9-10H2,1-3H3
InChIKeyIFGQIXTXQFNTBP-UHFFFAOYSA-N
XLogP4.64
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-(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-[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-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848503
4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848106
4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848477
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
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
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
4-(2-cyano-4-methylphenyl)sulfanyl-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847257
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-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C2CCN(C)CC2)c(C)c1-c1cc(Sc2ncccc2F)c2c(C#N)cnn2c1.
What is the InChIKey of 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?
The InChIKey is IFGQIXTXQFNTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7S/c1-15-22(16(2)32(29-15)19-6-9-30(3)10-7-19)17-11-21(33-24-20(25)5-4-8-27-24)23-18(12-26)13-28-31(23)14-17/h4-5,8,11,13-14,19H,6-7,9-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 461.57 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171848562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).