C128H125Cl7F14N20O13 — CID 157179661
[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;methane (PubChem CID 157179661) has the molecular formula C128H125Cl7F14N20O13 and a molecular weight of 2665.68 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;methane.
| Compound Name | [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;methane |
|---|---|
| PubChem CID | 157179661 |
| Molecular Formula | C128H125Cl7F14N20O13 |
| Molecular Weight | 2665.68 g/mol |
| Exact Mass | 2660.73 |
| IUPAC Name | [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;methane |
| SMILES | C.C.CC(C)Oc1c(N2CCC2)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3ccnn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1 |
| InChI | InChI=1S/C28H26ClF6N5O2.C26H26Cl2N4O2.C24H23Cl2N3O3.C24H20ClF5N4O3.C24H22ClF3N4O3.2CH4/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32;1-16(2)34-24-23(28)20-13-18(7-10-21(20)30-25(24)32-11-4-12-32)26(33,22-14-29-15-31(22)3)17-5-8-19(27)9-6-17;1-14(2)32-22-21(26)18-11-16(7-10-19(18)28-23(22)31-4)24(30,20-12-27-13-29(20)3)15-5-8-17(25)9-6-15;1-22(26,27)11-37-20-19(25)15-8-13(4-6-16(15)33-21(20)36-3)23(35,18-10-31-12-34(18)2)14-5-7-17(32-9-14)24(28,29)30;1-13(2)35-21-20(25)16-11-14(5-7-17(16)31-22(21)34-4)23(33,19-9-10-30-32(19)3)15-6-8-18(29-12-15)24(26,27)28;;/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3;5-10,13-16,33H,4,11-12H2,1-3H3;5-14,30H,1-4H3;4-10,12,35H,11H2,1-3H3;5-13,33H,1-4H3;2*1H4 |
| InChIKey | AOKOZXKEAHQJMW-UHFFFAOYSA-N |
| XLogP | 28.76 |
| TPSA | 373.69 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2665.68 |
| LogP ≤ 5 | 28.76 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |