C155H172F5N27O24S2 — CID 162129362
2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-(3-methylsulfonylphenyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide (PubChem CID 162129362) has the molecular formula C155H172F5N27O24S2 and a molecular weight of 2956.37 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-(3-methylsulfonylphenyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-(3-methylsulfonylphenyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide |
|---|---|
| PubChem CID | 162129362 |
| Molecular Formula | C155H172F5N27O24S2 |
| Molecular Weight | 2956.37 g/mol |
| Exact Mass | 2954.24 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-(3-methylsulfonylphenyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide |
| SMILES | CCOc1ncc(-c2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)ccc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C27H30N6O3.C26H28F3N5O4.C26H31N5O4.C26H29N3O5S.C25H26F2N4O3.C25H28N4O5S/c1-5-36-26-23(33-8-10-35-11-9-33)12-20(15-31-26)22-14-21(16-30-18(22)2)32-25(34)19-6-7-29-24(13-19)27(3,4)17-28;1-4-33-15-18(10-21(25(33)36)26(27,28)29)23(35)32-19-12-20(16(3)30-14-19)17-11-22(24(31-13-17)38-5-2)34-6-8-37-9-7-34;1-5-35-25-22(31-8-10-34-11-9-31)12-19(15-29-25)21-14-20(16-28-17(21)2)30-24(32)18-6-7-27-23(13-18)26(3,4)33;1-4-34-26-24(29-10-12-33-13-11-29)15-20(17-27-26)23-14-19(9-8-18(23)2)25(30)28-21-6-5-7-22(16-21)35(3,31)32;1-3-34-25-22(31-8-10-33-11-9-31)13-18(15-29-25)20-14-19(5-4-16(20)2)30-24(32)17-6-7-28-21(12-17)23(26)27;1-4-34-25-23(29-8-10-33-11-9-29)13-19(15-27-25)22-14-20(16-26-17(22)2)28-24(30)18-6-5-7-21(12-18)35(3,31)32/h6-7,12-16H,5,8-11H2,1-4H3,(H,32,34);10-15H,4-9H2,1-3H3,(H,32,35);6-7,12-16,33H,5,8-11H2,1-4H3,(H,30,32);5-9,14-17H,4,10-13H2,1-3H3,(H,28,30);4-7,12-15,23H,3,8-11H2,1-2H3,(H,30,32);5-7,12-16H,4,8-11H2,1-3H3,(H,28,30) |
| InChIKey | ZILQETDQZBIANL-UHFFFAOYSA-N |
| XLogP | 24.01 |
| TPSA | 606.67 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2956.37 |
| LogP ≤ 5 | 24.01 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 45 |