C172H199F6N11O20 — CID 159791521
1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]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 159791521) has the molecular formula C172H199F6N11O20 and a molecular weight of 2854.53 g/mol. Its IUPAC name is 1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]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-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]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 | 159791521 |
| Molecular Formula | C172H199F6N11O20 |
| Molecular Weight | 2854.53 g/mol |
| Exact Mass | 2852.48 |
| IUPAC Name | 1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]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)nc2OCCN2CCN(C)CC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2OCCN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2OCCN2CCN(C)CC2)cc1.CCOc1ccccc1-c1ccc(CC(=O)CCc2cc(F)cc(OCC(C)C)c2)nc1.CCOc1ccccc1-c1ccc(CC(=O)CCc2cccc(F)c2)nc1 |
| InChI | InChI=1S/C34H44FN3O4.C33H41FN2O5.C30H36FN3O3.C27H30FNO3.C25H26FNO3.C23H22FNO2/c1-5-40-31-11-7-27(8-12-31)33-13-9-29(36-34(33)41-19-18-38-16-14-37(4)15-17-38)23-30(39)10-6-26-20-28(35)22-32(21-26)42-24-25(2)3;1-4-39-30-10-6-26(7-11-30)32-12-8-28(35-33(32)40-18-15-36-13-16-38-17-14-36)22-29(37)9-5-25-19-27(34)21-31(20-25)41-23-24(2)3;1-3-36-28-12-8-24(9-13-28)29-14-10-26(22-27(35)11-7-23-5-4-6-25(31)21-23)32-30(29)37-20-19-34-17-15-33(2)16-18-34;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/h7-9,11-13,20-22,25H,5-6,10,14-19,23-24H2,1-4H3;6-8,10-12,19-21,24H,4-5,9,13-18,22-23H2,1-3H3;4-6,8-10,12-14,21H,3,7,11,15-20,22H2,1-2H3;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 | NIPRYUNNZSXEHD-UHFFFAOYSA-N |
| XLogP | 32.65 |
| TPSA | 325.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2854.53 |
| LogP ≤ 5 | 32.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |