4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H20ClN7S — CID 171848267

IUPAC4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(Cl)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCNCC1
InChIInChI=1S/C24H20ClN7S/c1-15-21(13-30-32(15)20-4-6-28-7-5-20)17-9-23(24-18(11-27)12-29-31(24)14-17)33-22-3-2-19(25)8-16(22)10-26/h2-3,8-9,12-14,20,28H,4-7H2,1H3
InChIKeyOZXMXNGFOLFICH-UHFFFAOYSA-N
MW473.99 g/mol
LogP4.98
Rot. Bonds4

About 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848267) has the molecular formula C24H20ClN7S and a molecular weight of 473.99 g/mol. Its IUPAC name is 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848267
Molecular FormulaC24H20ClN7S
Molecular Weight473.99 g/mol
Exact Mass473.12
IUPAC Name4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(Cl)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCNCC1
InChIInChI=1S/C24H20ClN7S/c1-15-21(13-30-32(15)20-4-6-28-7-5-20)17-9-23(24-18(11-27)12-29-31(24)14-17)33-22-3-2-19(25)8-16(22)10-26/h2-3,8-9,12-14,20,28H,4-7H2,1H3
InChIKeyOZXMXNGFOLFICH-UHFFFAOYSA-N
XLogP4.98
TPSA94.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-Cyano-4-fluorophenyl)sulfanyl-6-(1-cyclohexyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847241
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847264
4-[(3-Fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847267
6-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847275
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-[1-(4-methylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847284
4-[(5-Fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847288
4-(2,6-Difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847289
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847303
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847308
6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847319
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847324
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847331

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848267) is 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(Cl)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCNCC1.
What is the InChIKey of 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is OZXMXNGFOLFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7S/c1-15-21(13-30-32(15)20-4-6-28-7-5-20)17-9-23(24-18(11-27)12-29-31(24)14-17)33-22-3-2-19(25)8-16(22)10-26/h2-3,8-9,12-14,20,28H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 473.99 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).