C133H156ClN35O15S2 — CID 161222252
6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-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]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 161222252) has the molecular formula C133H156ClN35O15S2 and a molecular weight of 2584.53 g/mol. Its IUPAC name is 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-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]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.
| Compound Name | 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-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]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide |
|---|---|
| PubChem CID | 161222252 |
| Molecular Formula | C133H156ClN35O15S2 |
| Molecular Weight | 2584.53 g/mol |
| Exact Mass | 2582.17 |
| IUPAC Name | 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-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]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide |
| SMILES | Cc1cnc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)s1.Cc1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Clc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1.c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1 |
| InChI | InChI=1S/C23H28N6O2.C23H27N5O3S.C22H25ClN6O2.C22H26N6O2.C22H25N5O3S.C21H25N7O3/c1-16-14-24-15-22(27-16)28-17-2-4-19(5-3-17)31-21-13-18(29-8-10-30-11-9-29)12-20-23(21)26-7-6-25-20;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;23-20-5-6-21(28-27-20)26-15-1-3-17(4-2-15)31-19-14-16(29-9-11-30-12-10-29)13-18-22(19)25-8-7-24-18;1-6-25-22(26-7-1)27-16-2-4-18(5-3-16)30-20-15-17(28-10-12-29-13-11-28)14-19-21(20)24-9-8-23-19;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h6-7,12-15,17,19H,2-5,8-11H2,1H3,(H,27,28);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29);5-8,13-15,17H,1-4,9-12H2,(H,26,28);1,6-9,14-16,18H,2-5,10-13H2,(H,25,26,27);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27) |
| InChIKey | UXRAZENTXNKNSH-UHFFFAOYSA-N |
| XLogP | 18.24 |
| TPSA | 552.96 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2584.53 |
| LogP ≤ 5 | 18.24 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 48 |