4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H17N7OS — CID 171848297

IUPAC4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cnn([C@H]3CCC(=O)NC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C23H17N7OS/c24-8-15-3-1-2-4-20(15)32-21-7-16(13-30-23(21)17(9-25)10-28-30)18-11-27-29(14-18)19-5-6-22(31)26-12-19/h1-4,7,10-11,13-14,19H,5-6,12H2,(H,26,31)/t19-/m0/s1
InChIKeyAPIYCVVMDSYZEA-IBGZPJMESA-N
MW439.50 g/mol
LogP3.54
Rot. Bonds4

About 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848297) has the molecular formula C23H17N7OS and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848297
Molecular FormulaC23H17N7OS
Molecular Weight439.50 g/mol
Exact Mass439.12
IUPAC Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cnn([C@H]3CCC(=O)NC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C23H17N7OS/c24-8-15-3-1-2-4-20(15)32-21-7-16(13-30-23(21)17(9-25)10-28-30)18-11-27-29(14-18)19-5-6-22(31)26-12-19/h1-4,7,10-11,13-14,19H,5-6,12H2,(H,26,31)/t19-/m0/s1
InChIKeyAPIYCVVMDSYZEA-IBGZPJMESA-N
XLogP3.54
TPSA111.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847295
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848282
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848015
2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
CID 175636580
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848407
4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848514
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847272
4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848125
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
4-(2-cyanophenyl)sulfanyl-6-[1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847754
4-[(4-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848200

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848297) is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(-c2cnn([C@H]3CCC(=O)NC3)c2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is APIYCVVMDSYZEA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H17N7OS/c24-8-15-3-1-2-4-20(15)32-21-7-16(13-30-23(21)17(9-25)10-28-30)18-11-27-29(14-18)19-5-6-22(31)26-12-19/h1-4,7,10-11,13-14,19H,5-6,12H2,(H,26,31)/t19-/m0/s1.
What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 439.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).