C116H137F3N28O12S — CID 158877392
6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(2-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 158877392) has the molecular formula C116H137F3N28O12S and a molecular weight of 2204.62 g/mol. Its IUPAC name is 6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(2-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine.
| Compound Name | 6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(2-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 158877392 |
| Molecular Formula | C116H137F3N28O12S |
| Molecular Weight | 2204.62 g/mol |
| Exact Mass | 2203.06 |
| IUPAC Name | 6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(2-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine |
| SMILES | COc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Cc1cnc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)s1.Cc1cnc2c(OC3CCC(Nc4ncccn4)CC3)cc(N3CCOCC3)cc2n1.Cc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c2n1.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1 |
| InChI | InChI=1S/C24H26F3N5O2.C23H28N6O3.2C23H28N6O2.C23H27N5O3S/c25-24(26,27)16-1-6-22(30-15-16)31-17-2-4-19(5-3-17)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;1-30-22-14-21(26-15-27-22)28-16-2-4-18(5-3-16)32-20-13-17(29-8-10-31-11-9-29)12-19-23(20)25-7-6-24-19;1-16-15-26-22-20(27-16)13-18(29-9-11-30-12-10-29)14-21(22)31-19-5-3-17(4-6-19)28-23-24-7-2-8-25-23;1-16-15-26-20-13-18(29-9-11-30-12-10-29)14-21(22(20)27-16)31-19-5-3-17(4-6-19)28-23-24-7-2-8-25-23;1-15-14-26-23(32-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,31);6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28);2*2,7-8,13-15,17,19H,3-6,9-12H2,1H3,(H,24,25,28);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29) |
| InChIKey | JCPKAWLANPWWMX-UHFFFAOYSA-N |
| XLogP | 17.83 |
| TPSA | 426.97 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2204.62 |
| LogP ≤ 5 | 17.83 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 40 |