1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one

C35H38F3N3O3S — CID 146721407

About 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one

1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (PubChem CID 146721407) has the molecular formula C35H38F3N3O3S and a molecular weight of 637.77 g/mol. Its IUPAC name is 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• PubChem CID: 146721407
• Molecular Formula: C35H38F3N3O3S
• Molecular Weight: 637.77 g/mol
• Exact Mass: 637.26
• IUPAC Name: 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• SMILES: CCc1ccc(OC)cc1-n1c(CC(C)C)c(C(=O)N2CCC[C@@H](C)C2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O
• InChI: InChI=1S/C35H38F3N3O3S/c1-6-23-11-14-26(44-5)17-30(23)41-31(16-21(2)3)27(33(42)40-15-7-8-22(4)19-40)18-28(34(41)43)32-39-29(20-45-32)24-9-12-25(13-10-24)35(36,37)38/h9-14,17-18,20-22H,6-8,15-16,19H2,1-5H3/t22-/m1/s1
• InChIKey: RFBGHILQTBICJR-JOCHJYFZSA-N
• XLogP: 8.29
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.77
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (CID 146721407) is 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one.

What is the SMILES notation for 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The canonical SMILES for 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is CCc1ccc(OC)cc1-n1c(CC(C)C)c(C(=O)N2CCC[C@@H](C)C2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O.

What is the InChIKey of 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The InChIKey is RFBGHILQTBICJR-JOCHJYFZSA-N. The full InChI is InChI=1S/C35H38F3N3O3S/c1-6-23-11-14-26(44-5)17-30(23)41-31(16-21(2)3)27(33(42)40-15-7-8-22(4)19-40)18-28(34(41)43)32-39-29(20-45-32)24-9-12-25(13-10-24)35(36,37)38/h9-14,17-18,20-22H,6-8,15-16,19H2,1-5H3/t22-/m1/s1.

What are the key properties of 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one has a molecular weight of 637.77 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-5-methoxyphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]-6-(2-methylpropyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 146721407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).