4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H20FN7S — CID 171847331

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nn([C@H]2CCCNC2)cc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1
InChIInChI=1S/C24H20FN7S/c1-15-21(14-31(30-15)20-3-2-6-28-12-20)17-8-23(24-18(10-27)11-29-32(24)13-17)33-22-5-4-19(25)7-16(22)9-26/h4-5,7-8,11,13-14,20,28H,2-3,6,12H2,1H3/t20-/m0/s1
InChIKeyWJYIOYYGOQCWKY-FQEVSTJZSA-N
MW457.54 g/mol
LogP4.46
Rot. Bonds4

About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847331) has the molecular formula C24H20FN7S and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847331
Molecular FormulaC24H20FN7S
Molecular Weight457.54 g/mol
Exact Mass457.15
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nn([C@H]2CCCNC2)cc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1
InChIInChI=1S/C24H20FN7S/c1-15-21(14-31(30-15)20-3-2-6-28-12-20)17-8-23(24-18(10-27)11-29-32(24)13-17)33-22-5-4-19(25)7-16(22)9-26/h4-5,7-8,11,13-14,20,28H,2-3,6,12H2,1H3/t20-/m0/s1
InChIKeyWJYIOYYGOQCWKY-FQEVSTJZSA-N
XLogP4.46
TPSA94.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1nn([C@H]2CCCNC2)cc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WJYIOYYGOQCWKY-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20FN7S/c1-15-21(14-31(30-15)20-3-2-6-28-12-20)17-8-23(24-18(10-27)11-29-32(24)13-17)33-22-5-4-19(25)7-16(22)9-26/h4-5,7-8,11,13-14,20,28H,2-3,6,12H2,1H3/t20-/m0/s1.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 457.54 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).