C133H155F5N10O21Si4 — CID 157108485
dimethyl 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylate;3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-7-methylpyrrolo[3,4-g]quinoline-5,9-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-7-methyl-5,9-bis[tri(propan-2-yl)silyloxy]pyrrolo[3,4-g]quinoline-6,8-dione;1-methylpyrrolidine-2,5-dione (PubChem CID 157108485) has the molecular formula C133H155F5N10O21Si4 and a molecular weight of 2437.09 g/mol. Its IUPAC name is dimethyl 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylate;3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-7-methylpyrrolo[3,4-g]quinoline-5,9-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-7-methyl-5,9-bis[tri(propan-2-yl)silyloxy]pyrrolo[3,4-g]quinoline-6,8-dione;1-methylpyrrolidine-2,5-dione.
| Compound Name | dimethyl 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylate;3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-7-methylpyrrolo[3,4-g]quinoline-5,9-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-7-methyl-5,9-bis[tri(propan-2-yl)silyloxy]pyrrolo[3,4-g]quinoline-6,8-dione;1-methylpyrrolidine-2,5-dione |
|---|---|
| PubChem CID | 157108485 |
| Molecular Formula | C133H155F5N10O21Si4 |
| Molecular Weight | 2437.09 g/mol |
| Exact Mass | 2435.04 |
| IUPAC Name | dimethyl 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylate;3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-7-methylpyrrolo[3,4-g]quinoline-5,9-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-7-methyl-5,9-bis[tri(propan-2-yl)silyloxy]pyrrolo[3,4-g]quinoline-6,8-dione;1-methylpyrrolidine-2,5-dione |
| SMILES | CC(C)[Si](Oc1c2c(c(O)c3cc(Cc4ccc(F)cc4)cnc13)C(=O)N(C)C2=O)(C(C)C)C(C)C.CC(C)[Si](Oc1c2c(c(O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.CC(C)[Si](Oc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2=O)(C(C)C)C(C)C.CN1C(=O)CCC1=O.COC(=O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)OC.Cn1c(O)c2c(c1O)C(=O)c1ncc(Cc3ccc(F)cc3)cc1C2=O |
| InChI | InChI=1S/C37H53FN2O4Si2.C28H33FN2O4Si.C28H35FN2O3Si.C19H13FN2O4.C16H14FNO4.C5H7NO2/c1-21(2)45(22(3)4,23(5)6)43-34-30-19-28(18-27-14-16-29(38)17-15-27)20-39-33(30)35(32-31(34)36(41)40(13)37(32)42)44-46(24(7)8,25(9)10)26(11)12;1-15(2)36(16(3)4,17(5)6)35-26-23-22(27(33)31(7)28(23)34)25(32)21-13-19(14-30-24(21)26)12-18-8-10-20(29)11-9-18;1-16(2)35(17(3)4,18(5)6)34-27-24-23(15-31(7)28(24)33)26(32)22-13-20(14-30-25(22)27)12-19-8-10-21(29)11-9-19;1-22-18(25)13-14(19(22)26)17(24)15-12(16(13)23)7-10(8-21-15)6-9-2-4-11(20)5-3-9;1-21-15(19)13-8-11(9-18-14(13)16(20)22-2)7-10-3-5-12(17)6-4-10;1-6-4(7)2-3-5(6)8/h14-17,19-26H,18H2,1-13H3;8-11,13-17,32H,12H2,1-7H3;8-11,13-14,16-18,32H,12,15H2,1-7H3;2-5,7-8,25-26H,6H2,1H3;3-6,8-9H,7H2,1-2H3;2-3H2,1H3 |
| InChIKey | BUUDBFLOTBNTAT-UHFFFAOYSA-N |
| XLogP | 28.05 |
| TPSA | 406.41 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2437.09 |
| LogP ≤ 5 | 28.05 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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