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

C26H25F3N6O2S — CID 118322197

IUPAC6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILES[H]N=S(C)(=N[H])c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C26H25F3N6O2S/c1-16-21(23-11-12-33-34(23)2)14-22(24(36)32-15-17-7-9-20(10-8-17)38(3,30)31)25(37)35(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30-31H,15H2,1-3H3,(H,32,36)
InChIKeyJLYNJYKVPQKODY-UHFFFAOYSA-N
MW542.59 g/mol
LogP5.16
Rot. Bonds6

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

6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118322197) has the molecular formula C26H25F3N6O2S and a molecular weight of 542.59 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID118322197
Molecular FormulaC26H25F3N6O2S
Molecular Weight542.59 g/mol
Exact Mass542.17
IUPAC Name6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILES[H]N=S(C)(=N[H])c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C26H25F3N6O2S/c1-16-21(23-11-12-33-34(23)2)14-22(24(36)32-15-17-7-9-20(10-8-17)38(3,30)31)25(37)35(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30-31H,15H2,1-3H3,(H,32,36)
InChIKeyJLYNJYKVPQKODY-UHFFFAOYSA-N
XLogP5.16
TPSA116.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118322197) is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)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-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is [H]N=S(C)(=N[H])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-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JLYNJYKVPQKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2S/c1-16-21(23-11-12-33-34(23)2)14-22(24(36)32-15-17-7-9-20(10-8-17)38(3,30)31)25(37)35(16)19-6-4-5-18(13-19)26(27,28)29/h4-14,30-31H,15H2,1-3H3,(H,32,36).
What are the key properties of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-5-(2-methylpyrazol-3-yl)-N-[[4-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 542.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 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-(methylsulfonodiimidoyl)phenyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118322197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).