C125H107Cl7F4N20O7 — CID 158984581
3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine (PubChem CID 158984581) has the molecular formula C125H107Cl7F4N20O7 and a molecular weight of 2325.53 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine.
| Compound Name | 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine |
|---|---|
| PubChem CID | 158984581 |
| Molecular Formula | C125H107Cl7F4N20O7 |
| Molecular Weight | 2325.53 g/mol |
| Exact Mass | 2320.64 |
| IUPAC Name | 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine |
| SMILES | CNc1ncc(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.Cc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)nn1.FC(F)Oc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1 |
| InChI | InChI=1S/C18H14ClF2N3O.C18H17ClN4O.3C18H16ClN3O.C18H15ClN2O.C17H13ClF2N2O/c1-11-5-6-15(24-23-11)7-12-8-16(13-3-2-4-14(19)9-13)17(22-10-12)25-18(20)21;1-20-18-22-10-13(11-23-18)6-12-7-16(17(24-2)21-9-12)14-4-3-5-15(19)8-14;3*1-12-20-10-14(11-21-12)6-13-7-17(18(23-2)22-9-13)15-4-3-5-16(19)8-15;1-22-18-17(15-5-2-6-16(19)10-15)9-14(12-21-18)8-13-4-3-7-20-11-13;18-14-3-1-2-13(8-14)15-7-12(6-11-4-5-21-9-11)10-22-16(15)23-17(19)20/h2-6,8-10,18H,7H2,1H3;3-5,7-11H,6H2,1-2H3,(H,20,22,23);3*3-5,7-11H,6H2,1-2H3;2-7,9-12H,8H2,1H3;1-4,7-10,17H,5-6H2 |
| InChIKey | JPKLZKJAZPKALM-UHFFFAOYSA-N |
| XLogP | 29.78 |
| TPSA | 321.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2325.53 |
| LogP ≤ 5 | 29.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |