C193H209F12N49O26S — CID 158600313
2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-(6-ethoxy-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-(2-fluoropropan-2-yl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158600313) has the molecular formula C193H209F12N49O26S and a molecular weight of 3891.15 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-(6-ethoxy-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-(2-fluoropropan-2-yl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-(6-ethoxy-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-(2-fluoropropan-2-yl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158600313 |
| Molecular Formula | C193H209F12N49O26S |
| Molecular Weight | 3891.15 g/mol |
| Exact Mass | 3888.61 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-(6-ethoxy-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-(2-fluoropropan-2-yl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CCOc1nnc(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(C)(C)F)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)CC)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C26H30FN5O3.C26H29N7O3.C25H28F2N6O3.C25H28N6O3.2C23H23F3N6O3.C23H26N6O5S.C22H22F3N7O3/c1-5-35-25-23(32-9-11-34-12-10-32)15-22(30-31-25)21-14-20(16-28-17(21)2)29-24(33)18-7-6-8-19(13-18)26(3,4)27;1-5-36-25-22(33-8-10-35-11-9-33)14-21(31-32-25)20-13-19(15-29-17(20)2)30-24(34)18-6-7-28-23(12-18)26(3,4)16-27;1-4-25(26,27)22-12-17(6-7-28-22)23(34)30-18-13-19(16(3)29-15-18)20-14-21(24(32-31-20)36-5-2)33-8-10-35-11-9-33;1-3-34-25-23(31-8-10-33-11-9-31)14-22(29-30-25)20-13-19(15-27-16(20)2)28-24(32)18-6-7-26-21(12-18)17-4-5-17;1-3-35-22-19(32-6-8-34-9-7-32)12-18(30-31-22)17-11-16(13-28-14(17)2)29-21(33)15-4-5-27-20(10-15)23(24,25)26;1-3-35-22-20(32-6-8-34-9-7-32)12-18(30-31-22)17-11-16(13-28-14(17)2)29-21(33)19-10-15(4-5-27-19)23(24,25)26;1-4-34-23-20(29-7-9-33-10-8-29)13-19(27-28-23)18-12-17(14-25-15(18)2)26-22(30)16-5-6-24-21(11-16)35(3,31)32;1-3-35-21-18(32-4-6-34-7-5-32)10-17(29-31-21)16-9-15(12-26-13(16)2)28-20(33)14-8-19(22(23,24)25)30-27-11-14/h6-8,13-16H,5,9-12H2,1-4H3,(H,29,33);6-7,12-15H,5,8-11H2,1-4H3,(H,30,34);6-7,12-15H,4-5,8-11H2,1-3H3,(H,30,34);6-7,12-15,17H,3-5,8-11H2,1-2H3,(H,28,32);2*4-5,10-13H,3,6-9H2,1-2H3,(H,29,33);5-6,11-14H,4,7-10H2,1-3H3,(H,26,30);8-12H,3-7H2,1-2H3,(H,28,33) |
| InChIKey | HVNZTZAJORUIRT-UHFFFAOYSA-N |
| XLogP | 28.68 |
| TPSA | 876.81 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 67 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 281 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3891.15 |
| LogP ≤ 5 | 28.68 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 67 |