C168H190F6N8O19 — CID 158000667
1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (PubChem CID 158000667) has the molecular formula C168H190F6N8O19 and a molecular weight of 2739.39 g/mol. Its IUPAC name is 1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.
| Compound Name | 1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one |
|---|---|
| PubChem CID | 158000667 |
| Molecular Formula | C168H190F6N8O19 |
| Molecular Weight | 2739.39 g/mol |
| Exact Mass | 2737.41 |
| IUPAC Name | 1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one |
| SMILES | CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCC)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccccc1-c1ccc(CC(=O)CCc2cc(F)cc(OCC(C)C)c2)nc1.CCOc1ccccc1-c1ccc(CC(=O)CCc2cccc(F)c2)nc1 |
| InChI | InChI=1S/C34H43FN2O4.C30H35FN2O3.C29H34FNO4.C27H30FNO3.C25H26FNO3.C23H22FNO2/c1-5-39-31-10-11-33(34(20-31)41-23-25-12-14-37(4)15-13-25)27-7-8-29(36-21-27)19-30(38)9-6-26-16-28(35)18-32(17-26)40-22-24(2)3;1-3-35-28-11-12-29(30(19-28)36-21-23-13-15-33(2)16-14-23)24-8-9-26(32-20-24)18-27(34)10-7-22-5-4-6-25(31)17-22;1-5-33-26-11-12-28(29(17-26)34-6-2)22-8-9-24(31-18-22)16-25(32)10-7-21-13-23(30)15-27(14-21)35-19-20(3)4;1-4-31-27-8-6-5-7-26(27)21-10-11-23(29-17-21)16-24(30)12-9-20-13-22(28)15-25(14-20)32-18-19(2)3;1-3-29-23-12-13-24(25(16-23)30-4-2)19-9-10-21(27-17-19)15-22(28)11-8-18-6-5-7-20(26)14-18;1-2-27-23-9-4-3-8-22(23)18-11-12-20(25-16-18)15-21(26)13-10-17-6-5-7-19(24)14-17/h7-8,10-11,16-18,20-21,24-25H,5-6,9,12-15,19,22-23H2,1-4H3;4-6,8-9,11-12,17,19-20,23H,3,7,10,13-16,18,21H2,1-2H3;8-9,11-15,17-18,20H,5-7,10,16,19H2,1-4H3;5-8,10-11,13-15,17,19H,4,9,12,16,18H2,1-3H3;5-7,9-10,12-14,16-17H,3-4,8,11,15H2,1-2H3;3-9,11-12,14,16H,2,10,13,15H2,1H3 |
| InChIKey | FDRQEHCLMSEWJO-UHFFFAOYSA-N |
| XLogP | 35.53 |
| TPSA | 306.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 67 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2739.39 |
| LogP ≤ 5 | 35.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |