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

C81H81Br5N17O7W- — CID 159447672

IUPAC6-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
SMILESCC(C)n1cnnc1-c1cccc(Br)n1.CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.COC(=O)c1cc(Br)ccc1C.COC(=O)c1cc(Br)ccc1CBr.O=C1NCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1NCc2ccc(Br)cc21.[CH3-].[W].c1ncc(C2CC2)[nH]1
InChIInChI=1S/C24H23N7O.C14H13N3O.C10H11BrN4.C9H8Br2O2.C9H9BrO2.C8H6BrNO.C6H8N2.CH3.W/c1-15(2)31-14-26-28-23(31)20-4-3-5-22(27-20)30-11-17-8-9-18(10-19(17)24(30)32)29-12-21(25-13-29)16-6-7-16;18-14-12-5-11(4-3-10(12)6-15-14)17-7-13(16-8-17)9-1-2-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-13-9(12)8-4-7(11)3-2-6(8)5-10;1-6-3-4-7(10)5-8(6)9(11)12-2;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-5(1)6-3-7-4-8-6;;/h3-5,8-10,12-16H,6-7,11H2,1-2H3;3-5,7-9H,1-2,6H2,(H,15,18);3-7H,1-2H3;2-4H,5H2,1H3;3-5H,1-2H3;1-3H,4H2,(H,10,11);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;;;-1;
InChIKeyNMVCROINOMLAAL-UHFFFAOYSA-N
MW1988.01 g/mol
LogP17.92
Rot. Bonds13

About 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

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 (PubChem CID 159447672) has the molecular formula C81H81Br5N17O7W- and a molecular weight of 1988.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159447672
Molecular FormulaC81H81Br5N17O7W-
Molecular Weight1988.01 g/mol
Exact Mass1982.19
IUPAC Name6-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
SMILESCC(C)n1cnnc1-c1cccc(Br)n1.CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.COC(=O)c1cc(Br)ccc1C.COC(=O)c1cc(Br)ccc1CBr.O=C1NCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1NCc2ccc(Br)cc21.[CH3-].[W].c1ncc(C2CC2)[nH]1
InChIInChI=1S/C24H23N7O.C14H13N3O.C10H11BrN4.C9H8Br2O2.C9H9BrO2.C8H6BrNO.C6H8N2.CH3.W/c1-15(2)31-14-26-28-23(31)20-4-3-5-22(27-20)30-11-17-8-9-18(10-19(17)24(30)32)29-12-21(25-13-29)16-6-7-16;18-14-12-5-11(4-3-10(12)6-15-14)17-7-13(16-8-17)9-1-2-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-13-9(12)8-4-7(11)3-2-6(8)5-10;1-6-3-4-7(10)5-8(6)9(11)12-2;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-5(1)6-3-7-4-8-6;;/h3-5,8-10,12-16H,6-7,11H2,1-2H3;3-5,7-9H,1-2,6H2,(H,15,18);3-7H,1-2H3;2-4H,5H2,1H3;3-5H,1-2H3;1-3H,4H2,(H,10,11);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;;;-1;
InChIKeyNMVCROINOMLAAL-UHFFFAOYSA-N
XLogP17.92
TPSA282.63 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.01
LogP ≤ 517.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

CID 157582270
CID 157582270
CID 157697930
CID 157697930
(7S)-15-bromo-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 158067254
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
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
CID 158424607
7-bromo-3,4-dihydro-2H-isoquinolin-1-one;3-(6-bromo-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;carbanide;1-cyclopropylethanone;5-cyclopropyl-2-methyl-1H-imidazole;7-(4-cyclopropyl-2-methylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;7-(4-cyclopropyl-2-methylimidazol-1-yl)-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;2-cyclopropyl-2-oxoacetaldehyde;tungsten
CID 158877055
5-amino-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-bromo-2,3-dihydroisoindol-1-one;diphenylmethanimine
CID 158983054
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
CID 159035618
6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane;methane
CID 159054524
6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane
CID 159117763
7-bromo-4-fluoro-6-methyl-2H-isoquinolin-1-one;3-(6-bromo-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one;tungsten
CID 159529290
7-bromo-3,4-dihydro-2H-isoquinolin-1-one;1-(6-bromopyridine-2-carboximidoyl)piperidin-2-imine;carbanide;1-cyclopropylethanone;5-cyclopropyl-2-methyl-1H-imidazole;7-(4-cyclopropyl-2-methylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;7-(4-cyclopropyl-2-methylimidazol-1-yl)-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;2-cyclopropyl-2-oxoacetaldehyde;tungsten
CID 159540399

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cnnc1-c1cccc(Br)n1.CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.COC(=O)c1cc(Br)ccc1C.COC(=O)c1cc(Br)ccc1CBr.O=C1NCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1NCc2ccc(Br)cc21.[CH3-].[W].c1ncc(C2CC2)[nH]1.
What is the InChIKey of 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?
The InChIKey is NMVCROINOMLAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C14H13N3O.C10H11BrN4.C9H8Br2O2.C9H9BrO2.C8H6BrNO.C6H8N2.CH3.W/c1-15(2)31-14-26-28-23(31)20-4-3-5-22(27-20)30-11-17-8-9-18(10-19(17)24(30)32)29-12-21(25-13-29)16-6-7-16;18-14-12-5-11(4-3-10(12)6-15-14)17-7-13(16-8-17)9-1-2-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-13-9(12)8-4-7(11)3-2-6(8)5-10;1-6-3-4-7(10)5-8(6)9(11)12-2;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-5(1)6-3-7-4-8-6;;/h3-5,8-10,12-16H,6-7,11H2,1-2H3;3-5,7-9H,1-2,6H2,(H,15,18);3-7H,1-2H3;2-4H,5H2,1H3;3-5H,1-2H3;1-3H,4H2,(H,10,11);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;;;-1;.
What are the key properties of 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?
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 has a molecular weight of 1988.01 g/mol, XLogP of 17.92, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159447672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).