C145H175N37O17S — CID 158735625
6-[[4-[7-(3,6-dihydro-2H-pyran-4-yl)quinoxalin-5-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide;3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]amino]pyrimidine-4-carboxamide;[(2S)-4-[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]methanol;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 158735625) has the molecular formula C145H175N37O17S and a molecular weight of 2740.30 g/mol. Its IUPAC name is 6-[[4-[7-(3,6-dihydro-2H-pyran-4-yl)quinoxalin-5-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide;3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]amino]pyrimidine-4-carboxamide;[(2S)-4-[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]methanol;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-propan-2-yloxypyrazin-2-amine.
| Compound Name | 6-[[4-[7-(3,6-dihydro-2H-pyran-4-yl)quinoxalin-5-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide;3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]amino]pyrimidine-4-carboxamide;[(2S)-4-[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]methanol;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-propan-2-yloxypyrazin-2-amine |
|---|---|
| PubChem CID | 158735625 |
| Molecular Formula | C145H175N37O17S |
| Molecular Weight | 2740.30 g/mol |
| Exact Mass | 2738.37 |
| IUPAC Name | 6-[[4-[7-(3,6-dihydro-2H-pyran-4-yl)quinoxalin-5-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide;3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]amino]pyrimidine-4-carboxamide;[(2S)-4-[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]methanol;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-propan-2-yloxypyrazin-2-amine |
| SMILES | CC(C)Oc1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.CNC(=O)c1cc(NC2CCC(Oc3cc(C4=CCOCC4)cc4nccnc34)CC2)ncn1.CNC(=O)c1cc(NC2CCC(Oc3cc(N4CC5CC(C4)O5)cc4nccnc34)CC2)ncn1.Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)n1.Cc1nccc(NC2CCC(Oc3cc(N4CCO[C@H](CO)C4)cc4nccnc34)CC2)n1.NC(=O)c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1 |
| InChI | InChI=1S/C25H29N7O3.C25H32N6O3.C25H28N6O3.C24H30N6O3.C24H30N6O2.C22H26N6O3S/c1-26-25(33)21-11-23(30-14-29-21)31-15-2-4-17(5-3-15)35-22-9-16(8-20-24(22)28-7-6-27-20)32-12-18-10-19(13-32)34-18;1-17(2)33-24-16-26-15-23(30-24)29-18-3-5-20(6-4-18)34-22-14-19(31-9-11-32-12-10-31)13-21-25(22)28-8-7-27-21;1-26-25(32)21-14-23(30-15-29-21)31-18-2-4-19(5-3-18)34-22-13-17(16-6-10-33-11-7-16)12-20-24(22)28-9-8-27-20;1-16-25-7-6-23(28-16)29-17-2-4-19(5-3-17)33-22-13-18(12-21-24(22)27-9-8-26-21)30-10-11-32-20(14-30)15-31;1-16-15-27-24(17(2)28-16)29-18-3-5-20(6-4-18)32-22-14-19(30-9-11-31-12-10-30)13-21-23(22)26-8-7-25-21;23-21(29)18-13-32-22(27-18)26-14-1-3-16(4-2-14)31-19-12-15(28-7-9-30-10-8-28)11-17-20(19)25-6-5-24-17/h6-9,11,14-15,17-19H,2-5,10,12-13H2,1H3,(H,26,33)(H,29,30,31);7-8,13-18,20H,3-6,9-12H2,1-2H3,(H,29,30);6,8-9,12-15,18-19H,2-5,7,10-11H2,1H3,(H,26,32)(H,29,30,31);6-9,12-13,17,19-20,31H,2-5,10-11,14-15H2,1H3,(H,25,28,29);7-8,13-15,18,20H,3-6,9-12H2,1-2H3,(H,27,29);5-6,11-14,16H,1-4,7-10H2,(H2,23,29)(H,26,27)/t;;;17?,19?,20-;;/m...0../s1 |
| InChIKey | ILQISXGIQZKRKR-NNTCVOFQSA-N |
| XLogP | 19.02 |
| TPSA | 626.36 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2740.30 |
| LogP ≤ 5 | 19.02 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 52 |