C193H207F10N41O27S — CID 160640044
2-cyclopropyl-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;bis(2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(2-hydroxypropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-methylsulfonylbenzamide;bis(N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide) (PubChem CID 160640044) has the molecular formula C193H207F10N41O27S and a molecular weight of 3755.09 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;bis(2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(2-hydroxypropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-methylsulfonylbenzamide;bis(N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide).
| Compound Name | 2-cyclopropyl-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;bis(2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(2-hydroxypropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-methylsulfonylbenzamide;bis(N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide) |
|---|---|
| PubChem CID | 160640044 |
| Molecular Formula | C193H207F10N41O27S |
| Molecular Weight | 3755.09 g/mol |
| Exact Mass | 3752.56 |
| IUPAC Name | 2-cyclopropyl-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;bis(2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(2-hydroxypropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-methylsulfonylbenzamide;bis(N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide) |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OC)nn3)c2)ccn1.COc1nnc(-c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C25H27F2N5O3.2C25H28FN5O3.C25H29N5O4.C25H27N5O3.C24H26N4O5S.2C22H21F3N6O3/c1-4-25(26,27)22-13-17(7-8-28-22)23(33)29-18-6-5-16(2)19(14-18)20-15-21(24(34-3)31-30-20)32-9-11-35-12-10-32;2*1-16-5-6-18(28-23(32)17-7-8-27-22(13-17)25(2,3)26)14-19(16)20-15-21(24(33-4)30-29-20)31-9-11-34-12-10-31;1-16-5-6-18(27-23(31)17-7-8-26-22(13-17)25(2,3)32)14-19(16)20-15-21(24(33-4)29-28-20)30-9-11-34-12-10-30;1-16-3-6-19(27-24(31)18-7-8-26-21(13-18)17-4-5-17)14-20(16)22-15-23(25(32-2)29-28-22)30-9-11-33-12-10-30;1-16-7-8-18(25-23(29)17-5-4-6-19(13-17)34(3,30)31)14-20(16)21-15-22(24(32-2)27-26-21)28-9-11-33-12-10-28;2*1-13-3-4-15(27-20(32)14-9-19(22(23,24)25)29-26-12-14)10-16(13)17-11-18(21(33-2)30-28-17)31-5-7-34-8-6-31/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33);2*5-8,13-15H,9-12H2,1-4H3,(H,28,32);5-8,13-15,32H,9-12H2,1-4H3,(H,27,31);3,6-8,13-15,17H,4-5,9-12H2,1-2H3,(H,27,31);4-8,13-15H,9-12H2,1-3H3,(H,25,29);2*3-4,9-12H,5-8H2,1-2H3,(H,27,32) |
| InChIKey | RJBBWOCZFUBLAC-UHFFFAOYSA-N |
| XLogP | 29.41 |
| TPSA | 783.02 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3755.09 |
| LogP ≤ 5 | 29.41 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 60 |