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

C81H92Br2N17O6W- — CID 159540399

IUPAC7-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
SMILESCC(=O)C1CC1.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)NCC2.Cc1ncc(C2CC2)[nH]1.O=C1NCCc2ccc(Br)cc21.O=CC(=O)C1CC1.[CH3-].[H]/N=C1\CCCCN1/C(=N/[H])c1cccc(Br)n1.[W]
InChIInChI=1S/C27H27N7O.C16H17N3O.C11H13BrN4.C9H8BrNO.C7H10N2.C5H6O2.C5H8O.CH3.W/c1-17-28-23(19-8-9-19)16-34(17)20-11-10-18-12-14-33(27(35)21(18)15-20)24-7-4-5-22(29-24)26-31-30-25-6-2-3-13-32(25)26;1-10-18-15(12-2-3-12)9-19(10)13-5-4-11-6-7-17-16(20)14(11)8-13;12-9-5-3-4-8(15-9)11(14)16-7-2-1-6-10(16)13;10-7-2-1-6-3-4-11-9(12)8(6)5-7;1-5-8-4-7(9-5)6-2-3-6;6-3-5(7)4-1-2-4;1-4(6)5-2-3-5;;/h4-5,7,10-11,15-16,19H,2-3,6,8-9,12-14H2,1H3;4-5,8-9,12H,2-3,6-7H2,1H3,(H,17,20);3-5,13-14H,1-2,6-7H2;1-2,5H,3-4H2,(H,11,12);4,6H,2-3H2,1H3,(H,8,9);3-4H,1-2H2;5H,2-3H2,1H3;1H3;/q;;;;;;;-1;/b;;13-10+,14-11+;;;;;;
InChIKeyJEUBHJGAYWIWML-XXLMPTMFSA-N
MW1743.39 g/mol
LogP14.16
Rot. Bonds11

About 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

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 (PubChem CID 159540399) has the molecular formula C81H92Br2N17O6W- and a molecular weight of 1743.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159540399
Molecular FormulaC81H92Br2N17O6W-
Molecular Weight1743.39 g/mol
Exact Mass1740.53
IUPAC Name7-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
SMILESCC(=O)C1CC1.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)NCC2.Cc1ncc(C2CC2)[nH]1.O=C1NCCc2ccc(Br)cc21.O=CC(=O)C1CC1.[CH3-].[H]/N=C1\CCCCN1/C(=N/[H])c1cccc(Br)n1.[W]
InChIInChI=1S/C27H27N7O.C16H17N3O.C11H13BrN4.C9H8BrNO.C7H10N2.C5H6O2.C5H8O.CH3.W/c1-17-28-23(19-8-9-19)16-34(17)20-11-10-18-12-14-33(27(35)21(18)15-20)24-7-4-5-22(29-24)26-31-30-25-6-2-3-13-32(25)26;1-10-18-15(12-2-3-12)9-19(10)13-5-4-11-6-7-17-16(20)14(11)8-13;12-9-5-3-4-8(15-9)11(14)16-7-2-1-6-10(16)13;10-7-2-1-6-3-4-11-9(12)8(6)5-7;1-5-8-4-7(9-5)6-2-3-6;6-3-5(7)4-1-2-4;1-4(6)5-2-3-5;;/h4-5,7,10-11,15-16,19H,2-3,6,8-9,12-14H2,1H3;4-5,8-9,12H,2-3,6-7H2,1H3,(H,17,20);3-5,13-14H,1-2,6-7H2;1-2,5H,3-4H2,(H,11,12);4,6H,2-3H2,1H3,(H,8,9);3-4H,1-2H2;5H,2-3H2,1H3;1H3;/q;;;;;;;-1;/b;;13-10+,14-11+;;;;;;
InChIKeyJEUBHJGAYWIWML-XXLMPTMFSA-N
XLogP14.16
TPSA301.47 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.39
LogP ≤ 514.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

CID 157582270
CID 157582270
6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;bis(6-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)
CID 157655258
CID 157697930
CID 157697930
acetamide;5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide;methane
CID 157762363
3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;carbanide;7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-3,4-dihydro-2H-isoquinolin-1-one;tungsten
CID 157971283
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;2-chlorocyclohexan-1-one;4,5,6,7-tetrahydro-1H-benzimidazole;7-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;7-(4,5,6,7-tetrahydrobenzimidazol-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;tungsten
CID 158404073
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
5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(ethylamino)-3H-isoindol-1-one;ethanamine
CID 158615671
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CC1.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2.Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)NCC2.Cc1ncc(C2CC2)[nH]1.O=C1NCCc2ccc(Br)cc21.O=CC(=O)C1CC1.[CH3-].[H]/N=C1\CCCCN1/C(=N/[H])c1cccc(Br)n1.[W].
What is the InChIKey of 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?
The InChIKey is JEUBHJGAYWIWML-XXLMPTMFSA-N. The full InChI is InChI=1S/C27H27N7O.C16H17N3O.C11H13BrN4.C9H8BrNO.C7H10N2.C5H6O2.C5H8O.CH3.W/c1-17-28-23(19-8-9-19)16-34(17)20-11-10-18-12-14-33(27(35)21(18)15-20)24-7-4-5-22(29-24)26-31-30-25-6-2-3-13-32(25)26;1-10-18-15(12-2-3-12)9-19(10)13-5-4-11-6-7-17-16(20)14(11)8-13;12-9-5-3-4-8(15-9)11(14)16-7-2-1-6-10(16)13;10-7-2-1-6-3-4-11-9(12)8(6)5-7;1-5-8-4-7(9-5)6-2-3-6;6-3-5(7)4-1-2-4;1-4(6)5-2-3-5;;/h4-5,7,10-11,15-16,19H,2-3,6,8-9,12-14H2,1H3;4-5,8-9,12H,2-3,6-7H2,1H3,(H,17,20);3-5,13-14H,1-2,6-7H2;1-2,5H,3-4H2,(H,11,12);4,6H,2-3H2,1H3,(H,8,9);3-4H,1-2H2;5H,2-3H2,1H3;1H3;/q;;;;;;;-1;/b;;13-10+,14-11+;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1743.39 g/mol, XLogP of 14.16, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159540399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).