6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide

C17H20F2N6O2S — CID 10112226

About 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide

6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 10112226) has the molecular formula C17H20F2N6O2S and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide
• PubChem CID: 10112226
• Molecular Formula: C17H20F2N6O2S
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.13
• IUPAC Name: 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide
• SMILES: C[C@@H]1C[C@H](C)CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1
• InChI: InChI=1S/C17H20F2N6O2S/c1-10-5-11(2)9-24(8-10)17-13(6-20)15(16(18)19)23-25(17)14-4-3-12(7-22-14)28(21,26)27/h3-4,7,10-11,16H,5,8-9H2,1-2H3,(H2,21,26,27)/t10-,11+
• InChIKey: CGKDLJCZYRRZKF-PHIMTYICSA-N
• XLogP: 2.21
• TPSA: 117.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide (CID 10112226) is 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide is C[C@@H]1C[C@H](C)CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1.

What is the InChIKey of 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide?

The InChIKey is CGKDLJCZYRRZKF-PHIMTYICSA-N. The full InChI is InChI=1S/C17H20F2N6O2S/c1-10-5-11(2)9-24(8-10)17-13(6-20)15(16(18)19)23-25(17)14-4-3-12(7-22-14)28(21,26)27/h3-4,7,10-11,16H,5,8-9H2,1-2H3,(H2,21,26,27)/t10-,11+.

What are the key properties of 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide?

6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 410.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-cyano-3-(difluoromethyl)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10112226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).