C131H144F4N22O16 — CID 158095080
2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158095080) has the molecular formula C131H144F4N22O16 and a molecular weight of 2358.72 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158095080 |
| Molecular Formula | C131H144F4N22O16 |
| Molecular Weight | 2358.72 g/mol |
| Exact Mass | 2357.11 |
| IUPAC Name | 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | C=C(C)c1ccc(F)c(NC(=O)c2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4COC4)c3)cnc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C28H30FN3O3.C26H29N5O4.C26H29N5O3.C26H31N5O3.C25H25F3N4O3/c1-5-35-28-26(32-10-12-34-13-11-32)16-22(17-30-28)23-14-21(7-6-19(23)4)27(33)31-25-15-20(18(2)3)8-9-24(25)29;1-3-35-26-24(31-6-8-33-9-7-31)11-19(13-29-26)22-12-21(14-28-17(22)2)30-25(32)18-4-5-27-23(10-18)20-15-34-16-20;1-3-34-26-24(31-8-10-33-11-9-31)13-20(15-29-26)22-14-21(16-28-17(22)2)30-25(32)19-6-7-27-23(12-19)18-4-5-18;1-5-34-26-24(31-8-10-33-11-9-31)13-20(15-29-26)22-14-21(16-28-18(22)4)30-25(32)19-6-7-27-23(12-19)17(2)3;1-3-35-24-22(32-7-9-34-10-8-32)12-18(14-30-24)21-13-20(15-29-16(21)2)31-23(33)17-5-4-6-19(11-17)25(26,27)28/h6-9,14-17H,2,5,10-13H2,1,3-4H3,(H,31,33);4-5,10-14,20H,3,6-9,15-16H2,1-2H3,(H,30,32);6-7,12-16,18H,3-5,8-11H2,1-2H3,(H,30,32);6-7,12-17H,5,8-11H2,1-4H3,(H,30,32);4-6,11-15H,3,7-10H2,1-2H3,(H,31,33) |
| InChIKey | FOOLYADTVUXCMR-UHFFFAOYSA-N |
| XLogP | 22.79 |
| TPSA | 417.91 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2358.72 |
| LogP ≤ 5 | 22.79 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |