C191H216Cl8F3N29O19 — CID 157264445
tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 157264445) has the molecular formula C191H216Cl8F3N29O19 and a molecular weight of 3562.63 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.
| Compound Name | tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol |
|---|---|
| PubChem CID | 157264445 |
| Molecular Formula | C191H216Cl8F3N29O19 |
| Molecular Weight | 3562.63 g/mol |
| Exact Mass | 3556.43 |
| IUPAC Name | tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol |
| SMILES | COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCN(C(=O)OC(C)(C)C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1 |
| InChI | InChI=1S/C33H40ClN5O4.C32H38ClF3N4O4.C29H33ClN4O2.C27H22Cl2N4O2.C25H29ClN6O2.C23H29ClN4O2.C22H25ClN2O3/c1-21-7-9-24(18-36-21)33(41,28-19-35-20-38(28)5)23-10-12-27-26(17-23)29(34)25(30(37-27)42-6)11-8-22-13-15-39(16-14-22)31(40)43-32(2,3)4;1-19-9-12-39(13-10-19)18-24-27(33)23-14-20(6-7-25(23)38-28(24)43-5)31(42,21-8-11-37-26(15-21)32(34,35)36)22-16-40(17-22)29(41)44-30(2,3)4;1-19-9-11-22(16-32-19)29(35,26-17-31-18-34(26)2)21-12-14-25-24(15-21)27(30)23(28(33-25)36-3)13-10-20-7-5-4-6-8-20;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;1-16-27-14-22(30(16)2)24(33)17-5-6-21-19(13-17)23(26)20(25(29-21)34-3)15-31-11-7-18(8-12-31)32-10-4-9-28-32;1-14-7-9-28(10-8-14)13-18-21(24)17-11-16(5-6-19(17)26-23(18)30-4)22(29)20-12-25-15(2)27(20)3;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4/h7,9-10,12,17-20,22,41H,8,11,13-16H2,1-6H3;6-8,11,14-15,19,22,42H,9-10,12-13,16-18H2,1-5H3;9,11-12,14-18,20,35H,4-8,10,13H2,1-3H3;3-14,16,34H,15H2,1-2H3;4-6,9-10,13-14,18,24,33H,7-8,11-12,15H2,1-3H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;7-12,26H,1-6H3 |
| InChIKey | AXVKIAOSUQWWTK-UHFFFAOYSA-N |
| XLogP | 38.07 |
| TPSA | 545.85 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3562.63 |
| LogP ≤ 5 | 38.07 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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