C139H157F7N24O16 — CID 158966616
2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;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]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (PubChem CID 158966616) has the molecular formula C139H157F7N24O16 and a molecular weight of 2552.92 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-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;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]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.
| Compound Name | 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;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]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158966616 |
| Molecular Formula | C139H157F7N24O16 |
| Molecular Weight | 2552.92 g/mol |
| Exact Mass | 2551.21 |
| IUPAC Name | 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;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]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide |
| SMILES | C=C(C)c1ccc(F)c(NC(=O)c2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4COC4)c3)cnc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C31H37F3N6O3.C28H32F3N5O3.C28H30FN3O3.C26H29N5O4.C26H29N5O3/c1-4-38-6-8-39(9-7-38)26-15-22(14-24(17-26)31(32,33)34)29(41)37-25-18-27(21(3)35-20-25)23-16-28(30(36-19-23)43-5-2)40-10-12-42-13-11-40;1-5-39-27-25(36-6-8-38-9-7-36)13-21(15-33-27)24-14-23(16-32-18(24)2)34-26(37)20-10-19(17-35(3)4)11-22(12-20)28(29,30)31;1-5-35-28-26(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/h14-20H,4-13H2,1-3H3,(H,37,41);10-16H,5-9,17H2,1-4H3,(H,34,37);6-9,14-17H,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) |
| InChIKey | JNHAMFKHHBROML-UHFFFAOYSA-N |
| XLogP | 23.50 |
| TPSA | 414.74 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2552.92 |
| LogP ≤ 5 | 23.50 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 35 |