C156H166F13N29O19 — CID 158411284
6-(1-cyanocyclopropyl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158411284) has the molecular formula C156H166F13N29O19 and a molecular weight of 2998.20 g/mol. Its IUPAC name is 6-(1-cyanocyclopropyl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide.
| Compound Name | 6-(1-cyanocyclopropyl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158411284 |
| Molecular Formula | C156H166F13N29O19 |
| Molecular Weight | 2998.20 g/mol |
| Exact Mass | 2996.27 |
| IUPAC Name | 6-(1-cyanocyclopropyl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide |
| SMILES | COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)nnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cnc(OCC(F)F)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cnc(OCC(F)F)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H33FN4O3.C28H34N4O4.C27H30F2N4O3.C26H25F2N7O3.C24H22F5N5O3.C23H22F3N5O3/c1-18(2)36-27-24(33-10-12-35-13-11-33)14-21(17-31-27)23-16-22(7-6-19(23)3)32-26(34)20-8-9-30-25(15-20)28(4,5)29;1-18(2)36-27-24(32-10-12-35-13-11-32)14-21(17-30-27)23-16-22(7-6-19(23)3)31-26(33)20-8-9-29-25(15-20)28(4,5)34;1-17(2)36-26-23(33-9-11-35-12-10-33)13-20(16-31-26)22-15-21(6-5-18(22)3)32-25(34)19-7-8-30-24(14-19)27(4,28)29;1-16-20(17-8-21(35-4-6-37-7-5-35)25(31-11-17)38-14-23(27)28)10-19(13-30-16)33-24(36)18-9-22(34-32-12-18)26(15-29)2-3-26;1-14-19(8-18(12-31-14)33-22(35)16-6-17(11-30-9-16)24(27,28)29)15-7-20(34-2-4-36-5-3-34)23(32-10-15)37-13-21(25)26;1-14-18(16-11-19(22(33-2)27-13-16)31-6-8-34-9-7-31)12-20(30-29-14)28-21(32)15-4-3-5-17(10-15)23(24,25)26/h6-9,14-18H,10-13H2,1-5H3,(H,32,34);6-9,14-18,34H,10-13H2,1-5H3,(H,31,33);5-8,13-17H,9-12H2,1-4H3,(H,32,34);8-13,23H,2-7,14H2,1H3,(H,33,36);6-12,21H,2-5,13H2,1H3,(H,33,35);3-5,10-13H,6-9H2,1-2H3,(H,28,30,32) |
| InChIKey | GZIPFPBYXVDPFL-UHFFFAOYSA-N |
| XLogP | 27.62 |
| TPSA | 555.06 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2998.20 |
| LogP ≤ 5 | 27.62 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 42 |