6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

C25H27F4N5O4S — CID 121251753

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251753) has the molecular formula C25H27F4N5O4S and a molecular weight of 569.58 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251753
• Molecular Formula: C25H27F4N5O4S
• Molecular Weight: 569.58 g/mol
• Exact Mass: 569.17
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCC(C(F)(F)F)CC3)n2)c1
• InChI: InChI=1S/C25H27F4N5O4S/c1-15(2)14-38-19-12-16(11-18(26)13-19)21-4-3-20(24(35)33-39(36,37)22-5-8-30-32-22)23(31-21)34-9-6-17(7-10-34)25(27,28)29/h3-5,8,11-13,15,17H,6-7,9-10,14H2,1-2H3,(H,30,32)(H,33,35)
• InChIKey: BCJZOGXDZNBVGH-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.58
LogP ≤ 5	4.54
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-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 121251753) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCC(C(F)(F)F)CC3)n2)c1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is BCJZOGXDZNBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N5O4S/c1-15(2)14-38-19-12-16(11-18(26)13-19)21-4-3-20(24(35)33-39(36,37)22-5-8-30-32-22)23(31-21)34-9-6-17(7-10-34)25(27,28)29/h3-5,8,11-13,15,17H,6-7,9-10,14H2,1-2H3,(H,30,32)(H,33,35).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 569.58 g/mol, XLogP of 4.54, 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-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).