3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide

C84H69F7N14O6 — CID 160560905

About 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide

3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 160560905) has the molecular formula C84H69F7N14O6 and a molecular weight of 1503.55 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 160560905
• Molecular Formula: C84H69F7N14O6
• Molecular Weight: 1503.55 g/mol
• Exact Mass: 1502.54
• IUPAC Name: 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2c(C)ccc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)c2F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ncc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1
• InChI: InChI=1S/C29H25FN4O2.C28H22F3N5O2.C27H22F3N5O2/c1-17-9-12-19(13-10-17)33-26(35)23-18(2)11-14-21(25(23)30)20-7-5-8-22-24(20)29(3,4)27(36)34(22)28-31-15-6-16-32-28;1-16-8-10-17(11-9-16)35-24(37)19-14-21(34-15-20(19)28(29,30)31)18-6-4-7-22-23(18)27(2,3)25(38)36(22)26-32-12-5-13-33-26;1-15-7-9-16(10-8-15)33-24(36)23-18(27(28,29)30)11-12-19(34-23)17-5-4-6-20-22(17)26(2,3)25(37)35(20)21-13-31-14-32-21/h5-16H,1-4H3,(H,33,35);4-15H,1-3H3,(H,35,37);4-14H,1-3H3,(H,31,32)(H,33,36)
• InChIKey: QZHHUBGURZZAIJ-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 254.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.55
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide (CID 160560905) is 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2c(C)ccc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)c2F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ncc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1.

What is the InChIKey of 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is QZHHUBGURZZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2.C28H22F3N5O2.C27H22F3N5O2/c1-17-9-12-19(13-10-17)33-26(35)23-18(2)11-14-21(25(23)30)20-7-5-8-22-24(20)29(3,4)27(36)34(22)28-31-15-6-16-32-28;1-16-8-10-17(11-9-16)35-24(37)19-14-21(34-15-20(19)28(29,30)31)18-6-4-7-22-23(18)27(2,3)25(38)36(22)26-32-12-5-13-33-26;1-15-7-9-16(10-8-15)33-24(36)23-18(27(28,29)30)11-12-19(34-23)17-5-4-6-20-22(17)26(2,3)25(37)35(20)21-13-31-14-32-21/h5-16H,1-4H3,(H,33,35);4-15H,1-3H3,(H,35,37);4-14H,1-3H3,(H,31,32)(H,33,36).

What are the key properties of 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?

3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1503.55 g/mol, XLogP of 18.19, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 160560905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).