C119H146N30O15 — CID 157052115
1,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazole-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 157052115) has the molecular formula C119H146N30O15 and a molecular weight of 2236.67 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazole-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(oxolan-3-yl)pyrimidin-2-amine.
| Compound Name | 1,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazole-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(oxolan-3-yl)pyrimidin-2-amine |
|---|---|
| PubChem CID | 157052115 |
| Molecular Formula | C119H146N30O15 |
| Molecular Weight | 2236.67 g/mol |
| Exact Mass | 2235.16 |
| IUPAC Name | 1,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazole-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(oxolan-3-yl)pyrimidin-2-amine |
| SMILES | COc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.Cc1cc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n[nH]1.Cc1cc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1C.Cn1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.c1cnc2c(OC3CCC(Nc4ncc(C5CCOC5)cn4)CC3)cc(N3CCOCC3)cc2n1 |
| InChI | InChI=1S/C26H32N6O3.C24H30N6O3.3C23H28N6O3/c1-3-22(4-2-20(1)31-26-29-15-19(16-30-26)18-5-10-34-17-18)35-24-14-21(32-8-11-33-12-9-32)13-23-25(24)28-7-6-27-23;1-16-13-21(28-29(16)2)24(31)27-17-3-5-19(6-4-17)33-22-15-18(30-9-11-32-12-10-30)14-20-23(22)26-8-7-25-20;1-28-9-6-19(27-28)23(30)26-16-2-4-18(5-3-16)32-21-15-17(29-10-12-31-13-11-29)14-20-22(21)25-8-7-24-20;1-15-12-20(28-27-15)23(30)26-16-2-4-18(5-3-16)32-21-14-17(29-8-10-31-11-9-29)13-19-22(21)25-7-6-24-19;1-30-22-7-6-21(27-28-22)26-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-23(20)25-9-8-24-19/h6-7,13-16,18,20,22H,1-5,8-12,17H2,(H,29,30,31);7-8,13-15,17,19H,3-6,9-12H2,1-2H3,(H,27,31);6-9,14-16,18H,2-5,10-13H2,1H3,(H,26,30);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,26,30)(H,27,28);6-9,14-16,18H,2-5,10-13H2,1H3,(H,26,27) |
| InChIKey | AAIDXELWKBRNEC-UHFFFAOYSA-N |
| XLogP | 14.20 |
| TPSA | 483.10 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2236.67 |
| LogP ≤ 5 | 14.20 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |