C176H189F11N38O26 — CID 159985936
6-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159985936) has the molecular formula C176H189F11N38O26 and a molecular weight of 3461.67 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | 6-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159985936 |
| Molecular Formula | C176H189F11N38O26 |
| Molecular Weight | 3461.67 g/mol |
| Exact Mass | 3459.45 |
| IUPAC Name | 6-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCCO)nn3)c2)ccn1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1 |
| InChI | InChI=1S/C26H29F2N5O4.C26H30FN5O4.C26H28N6O3.C25H27F2N5O4.C25H27N7O3.2C24H24F3N5O4/c1-3-26(27,28)23-14-18(6-7-29-23)24(35)30-19-5-4-17(2)20(15-19)21-16-22(33-8-11-36-12-9-33)25(32-31-21)37-13-10-34;1-17-4-5-19(29-24(34)18-6-7-28-23(14-18)26(2,3)27)15-20(17)21-16-22(32-8-11-35-12-9-32)25(31-30-21)36-13-10-33;1-17-5-6-19(29-24(33)18-7-8-28-23(13-18)26(2,3)16-27)14-20(17)21-15-22(25(34-4)31-30-21)32-9-11-35-12-10-32;1-16-3-4-18(29-23(34)17-5-6-28-22(13-17)25(2,26)27)14-19(16)20-15-21(32-7-10-35-11-8-32)24(31-30-20)36-12-9-33;1-16-5-6-18(28-23(33)17-11-22(30-27-14-17)25(2,3)15-26)12-19(16)20-13-21(24(34-4)31-29-20)32-7-9-35-10-8-32;1-15-2-3-17(29-22(34)16-4-5-28-21(12-16)24(25,26)27)13-18(15)19-14-20(32-6-9-35-10-7-32)23(31-30-19)36-11-8-33;1-15-2-3-17(29-22(34)20-12-16(4-5-28-20)24(25,26)27)13-18(15)19-14-21(32-6-9-35-10-7-32)23(31-30-19)36-11-8-33/h4-7,14-16,34H,3,8-13H2,1-2H3,(H,30,35);4-7,14-16,33H,8-13H2,1-3H3,(H,29,34);5-8,13-15H,9-12H2,1-4H3,(H,29,33);3-6,13-15,33H,7-12H2,1-2H3,(H,29,34);5-6,11-14H,7-10H2,1-4H3,(H,28,33);2*2-5,12-14,33H,6-11H2,1H3,(H,29,34) |
| InChIKey | OGIJISCUTXRBAC-UHFFFAOYSA-N |
| XLogP | 24.28 |
| TPSA | 787.91 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 251 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3461.67 |
| LogP ≤ 5 | 24.28 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 57 |