6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide

C27H34FN5O4S — CID 175514636

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514636) has the molecular formula C27H34FN5O4S and a molecular weight of 543.67 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514636
• Molecular Formula: C27H34FN5O4S
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.23
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC(C)C3(C)C)n2)c1
• InChI: InChI=1S/C27H34FN5O4S/c1-17(2)16-37-21-14-19(13-20(28)15-21)23-9-8-22(26(34)32-38(35,36)24-10-11-29-31-24)25(30-23)33-12-6-7-18(3)27(33,4)5/h8-11,13-15,17-18H,6-7,12,16H2,1-5H3,(H,29,31)(H,32,34)
• InChIKey: RYROSNKJOZWGGB-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide (CID 175514636) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC(C)C3(C)C)n2)c1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is RYROSNKJOZWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O4S/c1-17(2)16-37-21-14-19(13-20(28)15-21)23-9-8-22(26(34)32-38(35,36)24-10-11-29-31-24)25(30-23)33-12-6-7-18(3)27(33,4)5/h8-11,13-15,17-18H,6-7,12,16H2,1-5H3,(H,29,31)(H,32,34).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 543.67 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,2,3-trimethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).