C119H140ClFN30O12 — CID 161262581
6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;4-methoxy-6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-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 161262581) has the molecular formula C119H140ClFN30O12 and a molecular weight of 2237.08 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;4-methoxy-6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-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;4-methoxy-6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-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 | 161262581 |
| Molecular Formula | C119H140ClFN30O12 |
| Molecular Weight | 2237.08 g/mol |
| Exact Mass | 2235.09 |
| IUPAC Name | 6-chloro-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;4-methoxy-6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine |
| SMILES | COc1cc(C)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.Fc1c(Cl)ncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1 |
| InChI | InChI=1S/C26H29N7O3.C24H30N6O3.C24H29N5O2.C23H28N6O2.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;1-16-13-22(31-2)29-24(27-16)28-17-3-5-19(6-4-17)33-21-15-18(30-9-11-32-12-10-30)14-20-23(21)26-8-7-25-20;1-17-6-7-26-23(14-17)28-18-2-4-20(5-3-18)31-22-16-19(29-10-12-30-13-11-29)15-21-24(22)27-9-8-25-21;1-16-14-27-22(15-26-16)28-17-2-4-19(5-3-17)31-21-13-18(29-8-10-30-11-9-29)12-20-23(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);7-8,13-15,17,19H,3-6,9-12H2,1-2H3,(H,27,28,29);6-9,14-16,18,20H,2-5,10-13H2,1H3,(H,26,28);6-7,12-15,17,19H,2-5,8-11H2,1H3,(H,27,28);5-6,11-14,16H,1-4,7-10H2,(H,27,28,29) |
| InChIKey | VCTFVLMTUJXNGC-UHFFFAOYSA-N |
| XLogP | 18.59 |
| TPSA | 448.82 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2237.08 |
| LogP ≤ 5 | 18.59 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 42 |