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

C25H25ClN6S — CID 171847986

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

4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847986) has the molecular formula C25H25ClN6S and a molecular weight of 477.04 g/mol. Its IUPAC name is 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171847986
• Molecular Formula: C25H25ClN6S
• Molecular Weight: 477.04 g/mol
• Exact Mass: 476.15
• IUPAC Name: 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cccc(Cl)c1[C@@H](C)Sc1cc(-c2cnn([C@H]3CCCNC3)c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C25H25ClN6S/c1-16-5-3-7-22(26)24(16)17(2)33-23-9-18(14-32-25(23)19(10-27)11-30-32)20-12-29-31(15-20)21-6-4-8-28-13-21/h3,5,7,9,11-12,14-15,17,21,28H,4,6,8,13H2,1-2H3/t17-,21+/m1/s1
• InChIKey: VHOCOKAUCSBTFX-UTKZUKDTSA-N
• XLogP: 5.81
• TPSA: 70.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.04
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847986) is 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cccc(Cl)c1[C@@H](C)Sc1cc(-c2cnn([C@H]3CCCNC3)c2)cn2ncc(C#N)c12.

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

The InChIKey is VHOCOKAUCSBTFX-UTKZUKDTSA-N. The full InChI is InChI=1S/C25H25ClN6S/c1-16-5-3-7-22(26)24(16)17(2)33-23-9-18(14-32-25(23)19(10-27)11-30-32)20-12-29-31(15-20)21-6-4-8-28-13-21/h3,5,7,9,11-12,14-15,17,21,28H,4,6,8,13H2,1-2H3/t17-,21+/m1/s1.

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

4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 477.04 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).