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

C81H90Br2N17O6W- — CID 158877055

About 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

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 (PubChem CID 158877055) has the molecular formula C81H90Br2N17O6W- and a molecular weight of 1741.37 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158877055
• Molecular Formula: C81H90Br2N17O6W-
• Molecular Weight: 1741.37 g/mol
• Exact Mass: 1738.51
• IUPAC Name: 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
• SMILES: Brc1cccc(-c2nnc3n2CCCC3)n1.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-].[W]
• InChI: InChI=1S/C27H27N7O.C16H17N3O.C11H11BrN4.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(13-9)11-15-14-10-6-1-2-7-16(10)11;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);3-5H,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
• InChIKey: SQVJQFVNYGWSAM-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 281.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.37
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Brc1cccc(-c2nnc3n2CCCC3)n1.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-].[W].

What is the InChIKey of 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?

The InChIKey is SQVJQFVNYGWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C16H17N3O.C11H11BrN4.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(13-9)11-15-14-10-6-1-2-7-16(10)11;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);3-5H,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;.

What are the key properties of 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?

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 has a molecular weight of 1741.37 g/mol, XLogP of 13.96, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).