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

C23H19N7S — CID 171847302

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

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847302) has the molecular formula C23H19N7S and a molecular weight of 425.52 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171847302
• Molecular Formula: C23H19N7S
• Molecular Weight: 425.52 g/mol
• Exact Mass: 425.14
• IUPAC Name: 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1ccccc1Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C23H19N7S/c24-9-16-4-1-2-6-21(16)31-22-8-17(14-30-23(22)18(10-25)11-28-30)19-12-27-29(15-19)20-5-3-7-26-13-20/h1-2,4,6,8,11-12,14-15,20,26H,3,5,7,13H2/t20-/m1/s1
• InChIKey: GPYHDQLWUBJFQO-HXUWFJFHSA-N
• XLogP: 4.02
• TPSA: 94.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.52
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847302) is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12.

What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GPYHDQLWUBJFQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19N7S/c24-9-16-4-1-2-6-21(16)31-22-8-17(14-30-23(22)18(10-25)11-28-30)19-12-27-29(15-19)20-5-3-7-26-13-20/h1-2,4,6,8,11-12,14-15,20,26H,3,5,7,13H2/t20-/m1/s1.

What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 425.52 g/mol, XLogP of 4.02, 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-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).