5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine

C77H85Br3N24O8Si2 — CID 158274509

IUPAC5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine
SMILESCN1Cc2cc(Br)ccc2C1=O.CN1Cc2cc(Nc3ncnc4c3ncn4COCC[Si](C)(C)C)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.COC(=O)c1ccc(Br)cc1CBr.C[Si](C)(C)CCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C20H26N6O2Si.2C14H12N6O.C11H19N5OSi.C9H8Br2O2.C9H8BrNO/c1-25-10-14-9-15(5-6-16(14)20(25)27)24-18-17-19(22-11-21-18)26(12-23-17)13-28-7-8-29(2,3)4;2*1-20-5-8-4-9(2-3-10(8)14(20)21)19-13-11-12(16-6-15-11)17-7-18-13;1-18(2,3)5-4-17-8-16-7-15-9-10(12)13-6-14-11(9)16;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-11-5-6-4-7(10)2-3-8(6)9(11)12/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,21,22,24);2*2-4,6-7H,5H2,1H3,(H2,15,16,17,18,19);6-7H,4-5,8H2,1-3H3,(H2,12,13,14);2-4H,5H2,1H3;2-4H,5H2,1H3
InChIKeyGJLDMFXGHNBCBM-UHFFFAOYSA-N
MW1770.57 g/mol
LogP13.72
Rot. Bonds18

About 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine

5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine (PubChem CID 158274509) has the molecular formula C77H85Br3N24O8Si2 and a molecular weight of 1770.57 g/mol. Its IUPAC name is 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine
PubChem CID158274509
Molecular FormulaC77H85Br3N24O8Si2
Molecular Weight1770.57 g/mol
Exact Mass1766.41
IUPAC Name5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine
SMILESCN1Cc2cc(Br)ccc2C1=O.CN1Cc2cc(Nc3ncnc4c3ncn4COCC[Si](C)(C)C)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.COC(=O)c1ccc(Br)cc1CBr.C[Si](C)(C)CCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C20H26N6O2Si.2C14H12N6O.C11H19N5OSi.C9H8Br2O2.C9H8BrNO/c1-25-10-14-9-15(5-6-16(14)20(25)27)24-18-17-19(22-11-21-18)26(12-23-17)13-28-7-8-29(2,3)4;2*1-20-5-8-4-9(2-3-10(8)14(20)21)19-13-11-12(16-6-15-11)17-7-18-13;1-18(2,3)5-4-17-8-16-7-15-9-10(12)13-6-14-11(9)16;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-11-5-6-4-7(10)2-3-8(6)9(11)12/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,21,22,24);2*2-4,6-7H,5H2,1H3,(H2,15,16,17,18,19);6-7H,4-5,8H2,1-3H3,(H2,12,13,14);2-4H,5H2,1H3;2-4H,5H2,1H3
InChIKeyGJLDMFXGHNBCBM-UHFFFAOYSA-N
XLogP13.72
TPSA384.23 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.57
LogP ≤ 513.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2,3-dihydroisoindol-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;6-(4-cyclopropylimidazol-1-yl)-2,3-dihydroisoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 5-bromo-2-(bromomethyl)benzoate;methyl 5-bromo-2-methylbenzoate;tungsten
CID 159447672
3H-2-benzofuran-1-one;2-bromo-5-methylpyrrolo[2,3-b]pyrazin-7-amine;2-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3H-isoindol-1-one;ethane;methane;bis(2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3H-isoindol-1-one);hydroiodide
CID 161827031
3H-2-benzofuran-1-one;2-bromo-5-methylpyrrolo[2,3-b]pyrazin-7-amine;2-(2-bromo-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-3H-isoindol-1-one;2-(2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl)-3H-isoindol-1-one;ethane;methane;2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3H-isoindol-1-one;hydroiodide
CID 161898800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The IUPAC name of 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine (CID 158274509) is 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine.
What is the SMILES notation for 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The canonical SMILES for 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine is CN1Cc2cc(Br)ccc2C1=O.CN1Cc2cc(Nc3ncnc4c3ncn4COCC[Si](C)(C)C)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.CN1Cc2cc(Nc3ncnc4nc[nH]c34)ccc2C1=O.COC(=O)c1ccc(Br)cc1CBr.C[Si](C)(C)CCOCn1cnc2c(N)ncnc21.
What is the InChIKey of 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The InChIKey is GJLDMFXGHNBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2Si.2C14H12N6O.C11H19N5OSi.C9H8Br2O2.C9H8BrNO/c1-25-10-14-9-15(5-6-16(14)20(25)27)24-18-17-19(22-11-21-18)26(12-23-17)13-28-7-8-29(2,3)4;2*1-20-5-8-4-9(2-3-10(8)14(20)21)19-13-11-12(16-6-15-11)17-7-18-13;1-18(2,3)5-4-17-8-16-7-15-9-10(12)13-6-14-11(9)16;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-11-5-6-4-7(10)2-3-8(6)9(11)12/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,21,22,24);2*2-4,6-7H,5H2,1H3,(H2,15,16,17,18,19);6-7H,4-5,8H2,1-3H3,(H2,12,13,14);2-4H,5H2,1H3;2-4H,5H2,1H3.
What are the key properties of 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine?
5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine has a molecular weight of 1770.57 g/mol, XLogP of 13.72, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3H-isoindol-1-one;methyl 4-bromo-2-(bromomethyl)benzoate;bis(2-methyl-5-(7H-purin-6-ylamino)-3H-isoindol-1-one);2-methyl-5-[[9-(2-trimethylsilylethoxymethyl)purin-6-yl]amino]-3H-isoindol-1-one;9-(2-trimethylsilylethoxymethyl)purin-6-amine is sourced from PubChem (CID 158274509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).