C122H142ClF6N27O14 — CID 158894043
5-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]aniline;methyl 5-[(2-methylpropan-2-yl)oxy]-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 158894043) has the molecular formula C122H142ClF6N27O14 and a molecular weight of 2360.09 g/mol. Its IUPAC name is 5-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]aniline;methyl 5-[(2-methylpropan-2-yl)oxy]-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyrimidin-4-amine.
| Compound Name | 5-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]aniline;methyl 5-[(2-methylpropan-2-yl)oxy]-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyrimidin-4-amine |
|---|---|
| PubChem CID | 158894043 |
| Molecular Formula | C122H142ClF6N27O14 |
| Molecular Weight | 2360.09 g/mol |
| Exact Mass | 2358.08 |
| IUPAC Name | 5-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]aniline;methyl 5-[(2-methylpropan-2-yl)oxy]-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylate;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyrimidin-4-amine |
| SMILES | COC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1OC(C)(C)C.COc1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Clc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.FC(F)(F)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1 |
| InChI | InChI=1S/C29H37N5O5.C25H30N4O3.2C23H25F3N6O2.C22H25ClN6O2/c1-29(2,3)39-25-18-32-26(17-22(25)28(35)36-4)33-19-5-7-21(8-6-19)38-24-16-20(34-11-13-37-14-12-34)15-23-27(24)31-10-9-30-23;1-30-22-4-2-3-19(15-22)28-18-5-7-21(8-6-18)32-24-17-20(29-11-13-31-14-12-29)16-23-25(24)27-10-9-26-23;24-23(25,26)15-13-29-22(30-14-15)31-16-1-3-18(4-2-16)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19;24-23(25,26)20-13-21(30-14-29-20)31-15-1-3-17(4-2-15)34-19-12-16(32-7-9-33-10-8-32)11-18-22(19)28-6-5-27-18;23-18-13-24-14-27-22(18)28-15-1-3-17(4-2-15)31-20-12-16(29-7-9-30-10-8-29)11-19-21(20)26-6-5-25-19/h9-10,15-19,21H,5-8,11-14H2,1-4H3,(H,32,33);2-4,9-10,15-18,21,28H,5-8,11-14H2,1H3;5-6,11-14,16,18H,1-4,7-10H2,(H,29,30,31);5-6,11-15,17H,1-4,7-10H2,(H,29,30,31);5-6,11-15,17H,1-4,7-10H2,(H,24,27,28) |
| InChIKey | JEPLDPHQWCWDQB-UHFFFAOYSA-N |
| XLogP | 20.77 |
| TPSA | 432.54 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2360.09 |
| LogP ≤ 5 | 20.77 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 41 |