C169H181F14N39O23S — CID 159487682
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159487682) has the molecular formula C169H181F14N39O23S and a molecular weight of 3424.60 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159487682 |
| Molecular Formula | C169H181F14N39O23S |
| Molecular Weight | 3424.60 g/mol |
| Exact Mass | 3422.37 |
| IUPAC Name | 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)nc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.COc1ncc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)nc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C27H31F3N6O3.C25H29FN6O3.C24H26F2N6O3.C24H25F2N5O3.C23H23F3N6O3.C23H22F3N5O3.C23H25N5O5S/c1-5-39-26-24(36-6-8-38-9-7-36)34-23(15-32-26)22-13-21(14-31-17(22)2)33-25(37)19-10-18(16-35(3)4)11-20(12-19)27(28,29)30;1-5-35-24-22(32-8-10-34-11-9-32)31-20(15-29-24)19-13-18(14-28-16(19)2)30-23(33)17-6-7-27-21(12-17)25(3,4)26;1-4-35-23-21(32-7-9-34-10-8-32)31-19(14-29-23)18-12-17(13-28-15(18)2)30-22(33)16-5-6-27-20(11-16)24(3,25)26;1-15-4-5-17(28-22(32)16-6-7-27-21(12-16)24(2,25)26)13-18(15)19-14-20(23(33-3)30-29-19)31-8-10-34-11-9-31;1-3-35-22-20(32-6-8-34-9-7-32)31-19(13-29-22)17-11-16(12-28-14(17)2)30-21(33)18-10-15(4-5-27-18)23(24,25)26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31;1-15-4-5-17(26-22(29)16-6-7-24-20(12-16)34(3,30)31)13-18(15)19-14-25-23(32-2)21(27-19)28-8-10-33-11-9-28/h10-15H,5-9,16H2,1-4H3,(H,33,37);6-7,12-15H,5,8-11H2,1-4H3,(H,30,33);5-6,11-14H,4,7-10H2,1-3H3,(H,30,33);4-7,12-14H,8-11H2,1-3H3,(H,28,32);4-5,10-13H,3,6-9H2,1-2H3,(H,30,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32);4-7,12-14H,8-11H2,1-3H3,(H,26,29) |
| InChIKey | LXUBUOSKFJMKSZ-UHFFFAOYSA-N |
| XLogP | 26.31 |
| TPSA | 702.34 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3424.60 |
| LogP ≤ 5 | 26.31 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 55 |