C116H128F7N15O18 — CID 158776131
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide (PubChem CID 158776131) has the molecular formula C116H128F7N15O18 and a molecular weight of 2154.38 g/mol. Its IUPAC name is N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide.
| Compound Name | N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158776131 |
| Molecular Formula | C116H128F7N15O18 |
| Molecular Weight | 2154.38 g/mol |
| Exact Mass | 2152.95 |
| IUPAC Name | N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cccc(C(F)(F)CO)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.[2H]C1(Oc2ncc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)cc2N2CCOCC2)CCOCC1 |
| InChI | InChI=1S/C30H33F2N3O5.C30H36N4O5.C28H29F3N4O4.C28H30F2N4O4/c1-20-5-6-24(34-28(37)21-3-2-4-23(15-21)30(31,32)19-36)17-26(20)22-16-27(35-9-13-39-14-10-35)29(33-18-22)40-25-7-11-38-12-8-25;1-20-4-5-23(32-29(35)21-6-9-31-26(16-21)30(2,3)36)19-25(20)22-17-27(34-10-14-38-15-11-34)33-28(18-22)39-24-7-12-37-13-8-24;1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23;1-18-2-3-21(32-28(35)19-4-7-31-24(14-19)27(29)30)17-23(18)20-15-25(34-8-12-37-13-9-34)33-26(16-20)38-22-5-10-36-11-6-22/h2-6,15-18,25,36H,7-14,19H2,1H3,(H,34,37);4-6,9,16-19,24,36H,7-8,10-15H2,1-3H3,(H,32,35);2-4,13-17,23H,5-12H2,1H3,(H,34,36);2-4,7,14-17,22,27H,5-6,8-13H2,1H3,(H,32,35)/i;;23D; |
| InChIKey | IQMLYLXUGFTOIC-ZQONAXDNSA-N |
| XLogP | 19.27 |
| TPSA | 370.81 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2154.38 |
| LogP ≤ 5 | 19.27 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 29 |