About 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate
3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate (PubChem CID 158039388) has the molecular formula C67H65Br2N9O5
and a molecular weight of 1236.12 g/mol. Its IUPAC name is 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate.
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Frequently Asked Questions
What is the IUPAC name of 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate?
The IUPAC name of 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate (CID 158039388) is 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate.
What is the SMILES notation for 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate?
The canonical SMILES for 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate is CC(C)(C)OC(=O)N1C(=O)c2ccc(Br)cc2C1(C)Cc1ccccc1.CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)C(C)(Cc3ccccc3)N(C)C4=O)ncnc21.CN1C(=O)c2ccc(Br)cc2C1(C)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate?
The InChIKey is FIDXPGPDQKZGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O.C21H22BrNO3.C17H16BrNO/c1-5-36-26(21-15-30-18(2)31-16-21)34-25-24(32-17-33-27(25)36)20-11-12-22-23(13-20)29(3,35(4)28(22)37)14-19-9-7-6-8-10-19;1-20(2,3)26-19(25)23-18(24)16-11-10-15(22)12-17(16)21(23,4)13-14-8-6-5-7-9-14;1-17(11-12-6-4-3-5-7-12)15-10-13(18)8-9-14(15)16(20)19(17)2/h6-13,15-17H,5,14H2,1-4H3;5-12H,13H2,1-4H3;3-10H,11H2,1-2H3.
What are the key properties of 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate?
3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate has a molecular weight of 1236.12 g/mol, XLogP of 14.11, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-bromo-2,3-dimethylisoindol-1-one;3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-2,3-dimethylisoindol-1-one;tert-butyl 1-benzyl-6-bromo-1-methyl-3-oxoisoindole-2-carboxylate is sourced from PubChem (CID 158039388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).