C95H108F3N23O11 — CID 161152557
1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 161152557) has the molecular formula C95H108F3N23O11 and a molecular weight of 1805.05 g/mol. Its IUPAC name is 1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.
| Compound Name | 1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol |
|---|---|
| PubChem CID | 161152557 |
| Molecular Formula | C95H108F3N23O11 |
| Molecular Weight | 1805.05 g/mol |
| Exact Mass | 1803.86 |
| IUPAC Name | 1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol |
| SMILES | Cn1ccnc1C(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.N#Cc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccccc1.O[C@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F |
| InChI | InChI=1S/C25H28N4O3.C24H27F3N6O3.C23H25N7O2.C23H28N6O3/c30-25(18-4-2-1-3-5-18)28-19-6-8-21(9-7-19)32-23-17-20(29-12-14-31-15-13-29)16-22-24(23)27-11-10-26-22;25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;24-14-17-11-22(28-15-27-17)29-16-1-3-19(4-2-16)32-21-13-18(30-7-9-31-10-8-30)12-20-23(21)26-6-5-25-20;1-28-9-8-26-22(28)23(30)27-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-21(20)25-7-6-24-19/h1-5,10-11,16-17,19,21H,6-9,12-15H2,(H,28,30);5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);5-6,11-13,15-16,19H,1-4,7-10H2,(H,27,28,29);6-9,14-16,18H,2-5,10-13H2,1H3,(H,27,30)/t;16?,18?,22-;;/m.1../s1 |
| InChIKey | UOWKVBIRKFCCGU-OFFHJQRUSA-N |
| XLogP | 12.49 |
| TPSA | 385.58 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 132 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1805.05 |
| LogP ≤ 5 | 12.49 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 32 |