C97H115ClFN25O11 — CID 160608136
6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 160608136) has the molecular formula C97H115ClFN25O11 and a molecular weight of 1861.60 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
| Compound Name | 6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine |
|---|---|
| PubChem CID | 160608136 |
| Molecular Formula | C97H115ClFN25O11 |
| Molecular Weight | 1861.60 g/mol |
| Exact Mass | 1859.89 |
| IUPAC Name | 6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine |
| SMILES | CCOCCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.Fc1c(Cl)ncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1 |
| InChI | InChI=1S/C26H29N7O3.C26H34N6O3.C23H28N6O3.C22H24ClFN6O2/c1-17-30-26(36-32-17)18-2-7-24(29-16-18)31-19-3-5-21(6-4-19)35-23-15-20(33-10-12-34-13-11-33)14-22-25(23)28-9-8-27-22;1-2-33-12-7-19-17-29-26(30-18-19)31-20-3-5-22(6-4-20)35-24-16-21(32-10-13-34-14-11-32)15-23-25(24)28-9-8-27-23;1-30-19-14-26-23(27-15-19)28-16-2-4-18(5-3-16)32-21-13-17(29-8-10-31-11-9-29)12-20-22(21)25-7-6-24-20;23-21-19(24)22(28-13-27-21)29-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-20(18)26-6-5-25-17/h2,7-9,14-16,19,21H,3-6,10-13H2,1H3,(H,29,31);8-9,15-18,20,22H,2-7,10-14H2,1H3,(H,29,30,31);6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28);5-6,11-14,16H,1-4,7-10H2,(H,27,28,29) |
| InChIKey | RFDNYSDKFCHNRZ-UHFFFAOYSA-N |
| XLogP | 14.58 |
| TPSA | 385.65 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1861.60 |
| LogP ≤ 5 | 14.58 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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