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

C22H18N8S — CID 171847272

IUPAC4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cn([C@H]3CCCNC3)nn2)cn2ncc(C#N)c12
InChIInChI=1S/C22H18N8S/c23-9-15-4-1-2-6-20(15)31-21-8-16(13-30-22(21)17(10-24)11-26-30)19-14-29(28-27-19)18-5-3-7-25-12-18/h1-2,4,6,8,11,13-14,18,25H,3,5,7,12H2/t18-/m0/s1
InChIKeyGPAIMZNYHRHVGO-SFHVURJKSA-N
MW426.51 g/mol
LogP3.41
Rot. Bonds4

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

4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847272) has the molecular formula C22H18N8S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847272
Molecular FormulaC22H18N8S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cn([C@H]3CCCNC3)nn2)cn2ncc(C#N)c12
InChIInChI=1S/C22H18N8S/c23-9-15-4-1-2-6-20(15)31-21-8-16(13-30-22(21)17(10-24)11-26-30)19-14-29(28-27-19)18-5-3-7-25-12-18/h1-2,4,6,8,11,13-14,18,25H,3,5,7,12H2/t18-/m0/s1
InChIKeyGPAIMZNYHRHVGO-SFHVURJKSA-N
XLogP3.41
TPSA107.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847272) is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(-c2cn([C@H]3CCCNC3)nn2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GPAIMZNYHRHVGO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18N8S/c23-9-15-4-1-2-6-20(15)31-21-8-16(13-30-22(21)17(10-24)11-26-30)19-14-29(28-27-19)18-5-3-7-25-12-18/h1-2,4,6,8,11,13-14,18,25H,3,5,7,12H2/t18-/m0/s1.
What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 426.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).