C185H210F7N37O21 — CID 158959062
2-(2-cyanopropan-2-yl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 158959062) has the molecular formula C185H210F7N37O21 and a molecular weight of 3420.94 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 158959062 |
| Molecular Formula | C185H210F7N37O21 |
| Molecular Weight | 3420.94 g/mol |
| Exact Mass | 3418.64 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3S)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOC(C)(C)C2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOC[C@@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOC[C@@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 |
| InChI | InChI=1S/C28H32N6O3.C27H30F3N5O3.C27H32FN5O3.C27H30N6O3.C26H30FN5O3.C25H27F2N5O3.C25H29N5O3/c1-18-7-8-20(31-25(35)19-9-10-30-24(13-19)27(2,3)16-29)14-21(18)22-15-23(26(36)33(6)32-22)34-11-12-37-28(4,5)17-34;1-17-5-6-21(31-25(36)19-11-18(16-33(2)3)12-20(13-19)27(28,29)30)14-22(17)23-15-24(26(37)34(4)32-23)35-7-9-38-10-8-35;1-17-7-8-19(30-24(34)18-9-10-29-23(13-18)27(4,5)28)14-20(17)21-15-22(25(35)32(6)31-21)33-11-12-36-26(2,3)16-33;1-17-6-7-20(30-25(34)19-8-9-29-24(12-19)27(3,4)16-28)13-21(17)22-14-23(26(35)32(5)31-22)33-10-11-36-15-18(33)2;1-16-6-7-19(29-24(33)18-8-9-28-23(12-18)26(3,4)27)13-20(16)21-14-22(25(34)31(5)30-21)32-10-11-35-15-17(32)2;1-15-5-6-18(29-23(33)17-7-8-28-22(11-17)25(3,26)27)12-19(15)20-13-21(24(34)31(4)30-20)32-9-10-35-14-16(32)2;1-16(2)21-13-18(7-8-26-21)24(31)27-19-6-5-17(3)20(14-19)22-15-23(25(32)29(4)28-22)30-9-11-33-12-10-30/h7-10,13-15H,11-12,17H2,1-6H3,(H,31,35);5-6,11-15H,7-10,16H2,1-4H3,(H,31,36);7-10,13-15H,11-12,16H2,1-6H3,(H,30,34);6-9,12-14,18H,10-11,15H2,1-5H3,(H,30,34);6-9,12-14,17H,10-11,15H2,1-5H3,(H,29,33);5-8,11-13,16H,9-10,14H2,1-4H3,(H,29,33);5-8,13-16H,9-12H2,1-4H3,(H,27,31)/t;;;18-;17-;16-;/m...000./s1 |
| InChIKey | JMJQRXKCQICIPB-CLFPZJGXSA-N |
| XLogP | 26.33 |
| TPSA | 663.38 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3420.94 |
| LogP ≤ 5 | 26.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 51 |