C122H143Cl2FN28O17 — CID 159532635
2-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-fluoro-N-methyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzamide;methyl 5-hydroxy-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide (PubChem CID 159532635) has the molecular formula C122H143Cl2FN28O17 and a molecular weight of 2363.57 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-fluoro-N-methyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzamide;methyl 5-hydroxy-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide.
| Compound Name | 2-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-fluoro-N-methyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzamide;methyl 5-hydroxy-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159532635 |
| Molecular Formula | C122H143Cl2FN28O17 |
| Molecular Weight | 2363.57 g/mol |
| Exact Mass | 2361.05 |
| IUPAC Name | 2-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-chloro-5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-fluoro-N-methyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzamide;methyl 5-hydroxy-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide |
| SMILES | CNC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.CNC(=O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1O.COc1c(Cl)ncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.COc1cnc(Cl)nc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1 |
| InChI | InChI=1S/C26H30FN5O3.C25H30N6O3.C25H29N5O5.2C23H27ClN6O3/c1-28-26(33)21-14-18(4-7-22(21)27)31-17-2-5-20(6-3-17)35-24-16-19(32-10-12-34-13-11-32)15-23-25(24)30-9-8-29-23;1-26-25(32)20-3-2-4-23(30-20)29-17-5-7-19(8-6-17)34-22-16-18(31-11-13-33-14-12-31)15-21-24(22)28-10-9-27-21;1-33-25(32)19-14-23(28-15-21(19)31)29-16-2-4-18(5-3-16)35-22-13-17(30-8-10-34-11-9-30)12-20-24(22)27-7-6-26-20;1-31-21-22(24)27-14-28-23(21)29-15-2-4-17(5-3-15)33-19-13-16(30-8-10-32-11-9-30)12-18-20(19)26-7-6-25-18;1-31-20-14-27-23(24)29-22(20)28-15-2-4-17(5-3-15)33-19-13-16(30-8-10-32-11-9-30)12-18-21(19)26-7-6-25-18/h4,7-9,14-17,20,31H,2-3,5-6,10-13H2,1H3,(H,28,33);2-4,9-10,15-17,19H,5-8,11-14H2,1H3,(H,26,32)(H,29,30);6-7,12-16,18,31H,2-5,8-11H2,1H3,(H,28,29);2*6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,28,29) |
| InChIKey | MDEQOVCGABZSQS-UHFFFAOYSA-N |
| XLogP | 17.39 |
| TPSA | 498.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2363.57 |
| LogP ≤ 5 | 17.39 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 43 |