5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C82H78F4N16O4 — CID 158336991

About 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 158336991) has the molecular formula C82H78F4N16O4 and a molecular weight of 1427.63 g/mol. Its IUPAC name is 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
• PubChem CID: 158336991
• Molecular Formula: C82H78F4N16O4
• Molecular Weight: 1427.63 g/mol
• Exact Mass: 1426.63
• IUPAC Name: 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
• SMILES: Cc1cc(-c2ccc3nnc(CC4CCCCC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc(Cc4cccc(C(F)(F)F)c4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc(Cc4ccccc4F)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc([C@@H](C)c4ccccc4)n3c2)cn(C)c1=O
• InChI: InChI=1S/C21H17F3N4O.C21H20N4O.C20H17FN4O.C20H24N4O/c1-13-8-16(11-27(2)20(13)29)15-6-7-18-25-26-19(28(18)12-15)10-14-4-3-5-17(9-14)21(22,23)24;1-14-11-18(12-24(3)21(14)26)17-9-10-19-22-23-20(25(19)13-17)15(2)16-7-5-4-6-8-16;1-13-9-16(11-24(2)20(13)26)15-7-8-18-22-23-19(25(18)12-15)10-14-5-3-4-6-17(14)21;1-14-10-17(12-23(2)20(14)25)16-8-9-18-21-22-19(24(18)13-16)11-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3;4-13,15H,1-3H3;3-9,11-12H,10H2,1-2H3;8-10,12-13,15H,3-7,11H2,1-2H3/t;15-;;/m.0../s1
• InChIKey: GQRXLSQSNXPVPE-GRSHENKXSA-N
• XLogP: 14.23
• TPSA: 208.76 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.63
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?

The IUPAC name of 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 158336991) is 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

What is the SMILES notation for 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?

The canonical SMILES for 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3nnc(CC4CCCCC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc(Cc4cccc(C(F)(F)F)c4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc(Cc4ccccc4F)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3nnc([C@@H](C)c4ccccc4)n3c2)cn(C)c1=O.

What is the InChIKey of 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?

The InChIKey is GQRXLSQSNXPVPE-GRSHENKXSA-N. The full InChI is InChI=1S/C21H17F3N4O.C21H20N4O.C20H17FN4O.C20H24N4O/c1-13-8-16(11-27(2)20(13)29)15-6-7-18-25-26-19(28(18)12-15)10-14-4-3-5-17(9-14)21(22,23)24;1-14-11-18(12-24(3)21(14)26)17-9-10-19-22-23-20(25(19)13-17)15(2)16-7-5-4-6-8-16;1-13-9-16(11-24(2)20(13)26)15-7-8-18-22-23-19(25(18)12-15)10-14-5-3-4-6-17(14)21;1-14-10-17(12-23(2)20(14)25)16-8-9-18-21-22-19(24(18)13-16)11-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3;4-13,15H,1-3H3;3-9,11-12H,10H2,1-2H3;8-10,12-13,15H,3-7,11H2,1-2H3/t;15-;;/m.0../s1.

What are the key properties of 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?

5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 1427.63 g/mol, XLogP of 14.23, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridin-2-one;5-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 158336991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).