C106H129N25O15 — CID 158076726
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;methyl 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxylate;N-(2-methyloxolan-3-yl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 158076726) has the molecular formula C106H129N25O15 and a molecular weight of 1993.36 g/mol. Its IUPAC name is N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;methyl 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxylate;N-(2-methyloxolan-3-yl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide.
| Compound Name | N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;methyl 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxylate;N-(2-methyloxolan-3-yl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 158076726 |
| Molecular Formula | C106H129N25O15 |
| Molecular Weight | 1993.36 g/mol |
| Exact Mass | 1992.01 |
| IUPAC Name | N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;methyl 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxylate;N-(2-methyloxolan-3-yl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide |
| SMILES | CC1OCCC1NC(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CN(C)C(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(N[C@@H]1CCOC1)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1 |
| InChI | InChI=1S/C28H35N7O4.C27H33N7O4.C26H32N6O3.C25H29N5O4/c1-18-23(6-11-38-18)34-27(36)19-16-31-28(32-17-19)33-20-2-4-22(5-3-20)39-25-15-21(35-9-12-37-13-10-35)14-24-26(25)30-8-7-29-24;35-26(32-20-5-10-37-17-20)18-15-30-27(31-16-18)33-19-1-3-22(4-2-19)38-24-14-21(34-8-11-36-12-9-34)13-23-25(24)29-7-6-28-23;1-31(2)26(33)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)35-23-16-20(32-11-13-34-14-12-32)15-22-25(23)28-10-9-27-22;1-32-25(31)17-2-7-23(28-16-17)29-18-3-5-20(6-4-18)34-22-15-19(30-10-12-33-13-11-30)14-21-24(22)27-9-8-26-21/h7-8,14-18,20,22-23H,2-6,9-13H2,1H3,(H,34,36)(H,31,32,33);6-7,13-16,19-20,22H,1-5,8-12,17H2,(H,32,35)(H,30,31,33);3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30);2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,28,29)/t;19?,20-,22?;;/m.1../s1 |
| InChIKey | FMLREUNYONWWHK-NRZULFKVSA-N |
| XLogP | 12.36 |
| TPSA | 438.65 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1993.36 |
| LogP ≤ 5 | 12.36 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 37 |