C188H194F16N44O25S — CID 157258499
2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide;2-(1,1-difluoropropyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(6-methylsulfonyl-5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 157258499) has the molecular formula C188H194F16N44O25S and a molecular weight of 3805.94 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide;2-(1,1-difluoropropyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(6-methylsulfonyl-5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide;2-(1,1-difluoropropyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(6-methylsulfonyl-5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157258499 |
| Molecular Formula | C188H194F16N44O25S |
| Molecular Weight | 3805.94 g/mol |
| Exact Mass | 3803.47 |
| IUPAC Name | 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide;2-(1,1-difluoropropyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(6-methylsulfonyl-5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OC)nn3)c2)ccn1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(S(C)(=O)=O)nn1 |
| InChI | InChI=1S/C24H24F3N5O3.C24H23F3N4O4S.C24H26F2N6O3.C24H27FN6O3.C24H26N6O3.C23H24F2N6O3.C23H23F2N5O3.C22H21F3N6O3/c1-3-35-23-21(32-7-9-34-10-8-32)13-20(30-31-23)19-12-18(14-28-15(19)2)29-22(33)16-5-4-6-17(11-16)24(25,26)27;1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)23(30-29-20)36(2,33)34;1-4-24(25,26)21-11-16(5-6-27-21)22(33)29-17-12-18(15(2)28-14-17)19-13-20(23(34-3)31-30-19)32-7-9-35-10-8-32;1-15-18(19-13-20(23(33-4)30-29-19)31-7-9-34-10-8-31)12-17(14-27-15)28-22(32)16-5-6-26-21(11-16)24(2,3)25;1-15-19(21-13-22(24(32-2)29-28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16;1-14-17(18-12-19(22(33-3)30-29-18)31-6-8-34-9-7-31)11-16(13-27-14)28-21(32)15-4-5-26-20(10-15)23(2,24)25;1-14-18(19-12-20(23(32-2)29-28-19)30-6-8-33-9-7-30)11-17(13-26-14)27-22(31)16-5-3-4-15(10-16)21(24)25;1-13-16(17-11-18(21(33-2)30-29-17)31-5-7-34-8-6-31)10-15(12-27-13)28-20(32)14-3-4-26-19(9-14)22(23,24)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,29,33);3-7,12-14H,8-11H2,1-2H3,(H,28,32);5-6,11-14H,4,7-10H2,1-3H3,(H,29,33);5-6,11-14H,7-10H2,1-4H3,(H,28,32);5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31);4-5,10-13H,6-9H2,1-3H3,(H,28,32);3-5,10-13,21H,6-9H2,1-2H3,(H,27,31);3-4,9-12H,5-8H2,1-2H3,(H,28,32) |
| InChIKey | AXEFNGUPWNZNSO-UHFFFAOYSA-N |
| XLogP | 29.61 |
| TPSA | 792.23 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 274 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3805.94 |
| LogP ≤ 5 | 29.61 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 61 |