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

C25H21N7O2S — CID 171848282

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

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848282) has the molecular formula C25H21N7O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848282
• Molecular Formula: C25H21N7O2S
• Molecular Weight: 483.56 g/mol
• Exact Mass: 483.15
• IUPAC Name: 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1ccccc1Sc1cc(-c2cnn([C@@H]3CCCN(C(=O)CO)C3)c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C25H21N7O2S/c26-9-17-4-1-2-6-22(17)35-23-8-18(13-32-25(23)19(10-27)11-29-32)20-12-28-31(14-20)21-5-3-7-30(15-21)24(34)16-33/h1-2,4,6,8,11-14,21,33H,3,5,7,15-16H2/t21-/m1/s1
• InChIKey: OUHAKWMEVRTYLJ-OAQYLSRUSA-N
• XLogP: 3.25
• TPSA: 123.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

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

The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(-c2cnn([C@@H]3CCCN(C(=O)CO)C3)c2)cn2ncc(C#N)c12.

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

The InChIKey is OUHAKWMEVRTYLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21N7O2S/c26-9-17-4-1-2-6-22(17)35-23-8-18(13-32-25(23)19(10-27)11-29-32)20-12-28-31(14-20)21-5-3-7-30(15-21)24(34)16-33/h1-2,4,6,8,11-14,21,33H,3,5,7,15-16H2/t21-/m1/s1.

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

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 483.56 g/mol, XLogP of 3.25, 5 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-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).