5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide

C85H68F8N12O7 — CID 157457960

About 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide

5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide (PubChem CID 157457960) has the molecular formula C85H68F8N12O7 and a molecular weight of 1521.54 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide.

Molecular Properties

• Compound Name: 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
• PubChem CID: 157457960
• Molecular Formula: C85H68F8N12O7
• Molecular Weight: 1521.54 g/mol
• Exact Mass: 1520.52
• IUPAC Name: 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
• SMILES: C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncn3)cnc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1F
• InChI: InChI=1S/C29H22F4N4O2.C28H21F4N5O2.C27H21N3O3.CH4/c1-16-6-8-18(14-23(16)30)36-26(38)21-13-17(7-9-22(21)29(31,32)33)20-10-12-35-25-24(20)28(2,3)27(39)37(25)19-5-4-11-34-15-19;1-15-7-8-17(12-20(15)29)36-25(38)19-11-16(13-34-24(19)28(30,31)32)18-5-4-6-21-23(18)27(2,3)26(39)37(21)22-9-10-33-14-35-22;1-17-8-12-20(13-9-17)29-26(31)23-15-19(11-10-18(23)2)22-6-3-7-24-25(22)33-27(32)30(24)21-5-4-14-28-16-21;/h4-15H,1-3H3,(H,36,38);4-14H,1-3H3,(H,36,38);3-16H,1-2H3,(H,29,31);1H4
• InChIKey: BTOUXUUZUQTITM-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 240.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.54
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide?

The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide (CID 157457960) is 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide.

What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide?

The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide is C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncn3)cnc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1F.

What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide?

The InChIKey is BTOUXUUZUQTITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N4O2.C28H21F4N5O2.C27H21N3O3.CH4/c1-16-6-8-18(14-23(16)30)36-26(38)21-13-17(7-9-22(21)29(31,32)33)20-10-12-35-25-24(20)28(2,3)27(39)37(25)19-5-4-11-34-15-19;1-15-7-8-17(12-20(15)29)36-25(38)19-11-16(13-34-24(19)28(30,31)32)18-5-4-6-21-23(18)27(2,3)26(39)37(21)22-9-10-33-14-35-22;1-17-8-12-20(13-9-17)29-26(31)23-15-19(11-10-18(23)2)22-6-3-7-24-25(22)33-27(32)30(24)21-5-4-14-28-16-21;/h4-15H,1-3H3,(H,36,38);4-14H,1-3H3,(H,36,38);3-16H,1-2H3,(H,29,31);1H4.

What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide?

5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide has a molecular weight of 1521.54 g/mol, XLogP of 19.18, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide is sourced from PubChem (CID 157457960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).