6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane
C84H70F7N15O6 — CID 159534215
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane
SMILESC.Cc1ccc(-c2cccc3c2C(C)(C)C(=O)N3c2ncccn2)nc1C(=O)Nc1ccc(F)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)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/2C28H22F3N5O2.C27H22FN5O2.CH4/c1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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;1-16-8-13-20(32-23(16)24(34)31-18-11-9-17(28)10-12-18)19-6-4-7-21-22(19)27(2,3)25(35)33(21)26-29-14-5-15-30-26;/h4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,35,37);4-15H,1-3H3,(H,31,34);1H4
InChIKeyMDJPFUVMFKPMFC-UHFFFAOYSA-N
MW1518.57 g/mol
LogP17.98
Rot. Bonds12
About 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane
6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane (PubChem CID 159534215) has the molecular formula C84H70F7N15O6 and a molecular weight of 1518.57 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane.
Molecular Properties
| Compound Name | 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane |
|---|---|
| PubChem CID | 159534215 |
| Molecular Formula | C84H70F7N15O6 |
| Molecular Weight | 1518.57 g/mol |
| Exact Mass | 1517.55 |
| IUPAC Name | 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane |
| SMILES | C.Cc1ccc(-c2cccc3c2C(C)(C)C(=O)N3c2ncccn2)nc1C(=O)Nc1ccc(F)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)N4c3ncccn3)ccc2C(F)(F)F)cc1 |
| InChI | InChI=1S/2C28H22F3N5O2.C27H22FN5O2.CH4/c1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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;1-16-8-13-20(32-23(16)24(34)31-18-11-9-17(28)10-12-18)19-6-4-7-21-22(19)27(2,3)25(35)33(21)26-29-14-5-15-30-26;/h4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,35,37);4-15H,1-3H3,(H,31,34);1H4 |
| InChIKey | MDJPFUVMFKPMFC-UHFFFAOYSA-N |
| XLogP | 17.98 |
| TPSA | 264.24 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 112 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1518.57 |
| LogP ≤ 5 | 17.98 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane?
The IUPAC name of 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane (CID 159534215) is 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane.
What is the SMILES notation for 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane?
The canonical SMILES for 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane is C.Cc1ccc(-c2cccc3c2C(C)(C)C(=O)N3c2ncccn2)nc1C(=O)Nc1ccc(F)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)N4c3ncccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane?
The InChIKey is MDJPFUVMFKPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H22F3N5O2.C27H22FN5O2.CH4/c1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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;1-16-8-13-20(32-23(16)24(34)31-18-11-9-17(28)10-12-18)19-6-4-7-21-22(19)27(2,3)25(35)33(21)26-29-14-5-15-30-26;/h4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,35,37);4-15H,1-3H3,(H,31,34);1H4.
What are the key properties of 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane?
6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane has a molecular weight of 1518.57 g/mol, XLogP of 17.98, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;methane is sourced from PubChem (CID 159534215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159534215 — identifiers, structure, computed properties (public domain)
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