C202H212F11N31O28S — CID 162096666
2-(1-cyano-1-fluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 162096666) has the molecular formula C202H212F11N31O28S and a molecular weight of 3763.15 g/mol. Its IUPAC name is 2-(1-cyano-1-fluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1-cyano-1-fluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 162096666 |
| Molecular Formula | C202H212F11N31O28S |
| Molecular Weight | 3763.15 g/mol |
| Exact Mass | 3760.57 |
| IUPAC Name | 2-(1-cyano-1-fluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)n(C)c(=O)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)C#N)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 |
| InChI | InChI=1S/C26H27F3N4O4.C26H26FN5O3.C26H30N4O4.C26H30N4O3.C25H25F2N3O3.C25H27N3O5S.C24H23F3N4O3.C24H24F2N4O3/c1-4-32-15-18(11-21(25(32)36)26(27,28)29)24(35)30-19-6-5-16(2)20(14-19)17-12-22(31(3)23(34)13-17)33-7-9-37-10-8-33;1-17-4-5-20(30-25(34)18-6-7-29-22(12-18)26(2,27)16-28)15-21(17)19-13-23(31(3)24(33)14-19)32-8-10-35-11-9-32;1-17-5-6-20(28-25(32)18-7-8-27-22(13-18)26(2,3)33)16-21(17)19-14-23(29(4)24(31)15-19)30-9-11-34-12-10-30;1-17(2)23-13-19(7-8-27-23)26(32)28-21-6-5-18(3)22(16-21)20-14-24(29(4)25(31)15-20)30-9-11-33-12-10-30;1-16-6-7-20(28-25(32)18-5-3-4-17(12-18)24(26)27)15-21(16)19-13-22(29(2)23(31)14-19)30-8-10-33-11-9-30;1-17-7-8-20(26-25(30)18-5-4-6-21(13-18)34(3,31)32)16-22(17)19-14-23(27(2)24(29)15-19)28-9-11-33-12-10-28;1-15-3-4-18(29-23(33)16-5-6-28-20(11-16)24(25,26)27)14-19(15)17-12-21(30(2)22(32)13-17)31-7-9-34-10-8-31;1-15-3-4-18(28-24(32)16-5-6-27-20(11-16)23(25)26)14-19(15)17-12-21(29(2)22(31)13-17)30-7-9-33-10-8-30/h5-6,11-15H,4,7-10H2,1-3H3,(H,30,35);4-7,12-15H,8-11H2,1-3H3,(H,30,34);5-8,13-16,33H,9-12H2,1-4H3,(H,28,32);5-8,13-17H,9-12H2,1-4H3,(H,28,32);3-7,12-15,24H,8-11H2,1-2H3,(H,28,32);4-8,13-16H,9-12H2,1-3H3,(H,26,30);3-6,11-14H,7-10H2,1-2H3,(H,29,33);3-6,11-14,23H,7-10H2,1-2H3,(H,28,32) |
| InChIKey | ZEILFSYFLGJNOX-UHFFFAOYSA-N |
| XLogP | 29.13 |
| TPSA | 673.17 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 273 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3763.15 |
| LogP ≤ 5 | 29.13 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 51 |