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

C24H22Cl2N6S — CID 171847601

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

4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847601) has the molecular formula C24H22Cl2N6S and a molecular weight of 497.46 g/mol. Its IUPAC name is 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171847601
• Molecular Formula: C24H22Cl2N6S
• Molecular Weight: 497.46 g/mol
• Exact Mass: 496.10
• IUPAC Name: 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C[C@@H](Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C24H22Cl2N6S/c1-15(23-20(25)5-2-6-21(23)26)33-22-8-16(13-32-24(22)17(9-27)10-30-32)18-11-29-31(14-18)19-4-3-7-28-12-19/h2,5-6,8,10-11,13-15,19,28H,3-4,7,12H2,1H3/t15-,19-/m1/s1
• InChIKey: DSUPOSZAMAJMPF-DNVCBOLYSA-N
• XLogP: 6.15
• 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	497.46
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847601) is 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12)c1c(Cl)cccc1Cl.

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

The InChIKey is DSUPOSZAMAJMPF-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H22Cl2N6S/c1-15(23-20(25)5-2-6-21(23)26)33-22-8-16(13-32-24(22)17(9-27)10-30-32)18-11-29-31(14-18)19-4-3-7-28-12-19/h2,5-6,8,10-11,13-15,19,28H,3-4,7,12H2,1H3/t15-,19-/m1/s1.

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

4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 497.46 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).