6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H24F3N5O3S — CID 118322200

About 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118322200) has the molecular formula C26H24F3N5O3S and a molecular weight of 543.57 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 118322200
• Molecular Formula: C26H24F3N5O3S
• Molecular Weight: 543.57 g/mol
• Exact Mass: 543.16
• IUPAC Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: [H]N=S(C)(=O)c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
• InChI: InChI=1S/C26H24F3N5O3S/c1-16-21(23-11-12-32-33(23)2)14-22(24(35)31-15-17-7-9-20(10-8-17)38(3,30)37)25(36)34(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30H,15H2,1-3H3,(H,31,35)
• InChIKey: QLODKLJHGQAOKU-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 109.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.57
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118322200) is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is [H]N=S(C)(=O)c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.

What is the InChIKey of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is QLODKLJHGQAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3S/c1-16-21(23-11-12-32-33(23)2)14-22(24(35)31-15-17-7-9-20(10-8-17)38(3,30)37)25(36)34(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30H,15H2,1-3H3,(H,31,35).

What are the key properties of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 543.57 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118322200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).