C116H136F3N29O16 — CID 162230469
1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 162230469) has the molecular formula C116H136F3N29O16 and a molecular weight of 2249.54 g/mol. Its IUPAC name is 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.
| Compound Name | 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol |
|---|---|
| PubChem CID | 162230469 |
| Molecular Formula | C116H136F3N29O16 |
| Molecular Weight | 2249.54 g/mol |
| Exact Mass | 2248.07 |
| IUPAC Name | 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol |
| SMILES | CC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncco1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F |
| InChI | InChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O3.C23H28N6O3.C22H25N5O4/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-23(22-26-6-1-7-27-22)28-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-21(20)25-9-8-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20;28-21(22-25-7-10-30-22)26-15-1-3-17(4-2-15)31-19-14-16(27-8-11-29-12-9-27)13-18-20(19)24-6-5-23-18/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);1,6-9,14-16,18H,2-5,10-13H2,(H,28,30);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28);5-7,10,13-15,17H,1-4,8-9,11-12H2,(H,26,28)/t16?,18?,22-;;;;/m0..../s1 |
| InChIKey | ZVIUFJWZQDEZSR-GQJYTGCFSA-N |
| XLogP | 14.27 |
| TPSA | 521.53 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2249.54 |
| LogP ≤ 5 | 14.27 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 43 |