C170H157ClF17N29O21 — CID 159995746
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159995746) has the molecular formula C170H157ClF17N29O21 and a molecular weight of 3300.73 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159995746 |
| Molecular Formula | C170H157ClF17N29O21 |
| Molecular Weight | 3300.73 g/mol |
| Exact Mass | 3298.15 |
| IUPAC Name | N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CC(C)c1cc(C(=O)Nc2ccc(Cl)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O |
| InChI | InChI=1S/C25H27ClN4O3.C25H23F2N5O3.C25H22F2N4O3.C24H20F3N5O3.C24H23F3N4O3.C24H22F3N3O3.C23H20F4N4O3/c1-16(2)22-12-17(6-7-27-22)24(31)28-19-4-5-21(26)20(14-19)18-13-23(25(32)29(3)15-18)30-8-10-33-11-9-30;1-25(26,27)22-12-16(5-6-29-22)23(33)30-19-4-3-17(14-28)20(13-19)18-11-21(24(34)31(2)15-18)32-7-9-35-10-8-32;1-30-15-19(12-22(25(30)33)31-7-9-34-10-8-31)21-13-20(6-5-18(21)14-28)29-24(32)17-4-2-3-16(11-17)23(26)27;1-31-14-17(10-20(23(31)34)32-6-8-35-9-7-32)19-12-18(3-2-16(19)13-28)30-22(33)15-4-5-29-21(11-15)24(25,26)27;1-24(26,27)21-12-15(5-6-28-21)22(32)29-17-3-4-19(25)18(13-17)16-11-20(23(33)30(2)14-16)31-7-9-34-10-8-31;1-29-14-17(12-21(24(29)32)30-7-9-33-10-8-30)19-13-18(5-6-20(19)25)28-23(31)16-4-2-3-15(11-16)22(26)27;1-30-13-15(10-19(22(30)33)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h4-7,12-16H,8-11H2,1-3H3,(H,28,31);3-6,11-13,15H,7-10H2,1-2H3,(H,30,33);2-6,11-13,15,23H,7-10H2,1H3,(H,29,32);2-5,10-12,14H,6-9H2,1H3,(H,30,33);3-6,11-14H,7-10H2,1-2H3,(H,29,32);2-6,11-14,22H,7-10H2,1H3,(H,28,31);2-5,10-13H,6-9H2,1H3,(H,29,32) |
| InChIKey | OHNFCQBXGHWAHW-UHFFFAOYSA-N |
| XLogP | 26.91 |
| TPSA | 580.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3300.73 |
| LogP ≤ 5 | 26.91 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 43 |