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

C77H85Br2ClN17O4W- — CID 158404073

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;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

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 (PubChem CID 158404073) has the molecular formula C77H85Br2ClN17O4W- and a molecular weight of 1691.74 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;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.

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;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
• PubChem CID: 158404073
• Molecular Formula: C77H85Br2ClN17O4W-
• Molecular Weight: 1691.74 g/mol
• Exact Mass: 1688.45
• 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;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
• SMILES: Brc1cccc(-c2nnc3n2CCCC3)n1.O=C1CCCCC1Cl.O=C1NCCc2ccc(-n3cnc4c3CCCC4)cc21.O=C1NCCc2ccc(Br)cc21.O=C1c2cc(-n3cnc4c3CCCC4)ccc2CCN1c1cccc(-c2nnc3n2CCCC3)n1.[CH3-].[W].c1nc2c([nH]1)CCCC2
• InChI: InChI=1S/C27H27N7O.C16H17N3O.C11H11BrN4.C9H8BrNO.C7H10N2.C6H9ClO.CH3.W/c35-27-20-16-19(34-17-28-21-6-1-2-8-23(21)34)12-11-18(20)13-15-33(27)24-10-5-7-22(29-24)26-31-30-25-9-3-4-14-32(25)26;20-16-13-9-12(6-5-11(13)7-8-17-16)19-10-18-14-3-1-2-4-15(14)19;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;1-2-4-7-6(3-1)8-5-9-7;7-5-3-1-2-4-6(5)8;;/h5,7,10-12,16-17H,1-4,6,8-9,13-15H2;5-6,9-10H,1-4,7-8H2,(H,17,20);3-5H,1-2,6-7H2;1-2,5H,3-4H2,(H,11,12);5H,1-4H2,(H,8,9);5H,1-4H2;1H3;/q;;;;;;-1
• InChIKey: NCNWKNCIMGLWMP-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 247.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1691.74
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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'}

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;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?

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;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) 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;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.

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;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?

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;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 is Brc1cccc(-c2nnc3n2CCCC3)n1.O=C1CCCCC1Cl.O=C1NCCc2ccc(-n3cnc4c3CCCC4)cc21.O=C1NCCc2ccc(Br)cc21.O=C1c2cc(-n3cnc4c3CCCC4)ccc2CCN1c1cccc(-c2nnc3n2CCCC3)n1.[CH3-].[W].c1nc2c([nH]1)CCCC2.

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;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?

The InChIKey is NCNWKNCIMGLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C16H17N3O.C11H11BrN4.C9H8BrNO.C7H10N2.C6H9ClO.CH3.W/c35-27-20-16-19(34-17-28-21-6-1-2-8-23(21)34)12-11-18(20)13-15-33(27)24-10-5-7-22(29-24)26-31-30-25-9-3-4-14-32(25)26;20-16-13-9-12(6-5-11(13)7-8-17-16)19-10-18-14-3-1-2-4-15(14)19;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;1-2-4-7-6(3-1)8-5-9-7;7-5-3-1-2-4-6(5)8;;/h5,7,10-12,16-17H,1-4,6,8-9,13-15H2;5-6,9-10H,1-4,7-8H2,(H,17,20);3-5H,1-2,6-7H2;1-2,5H,3-4H2,(H,11,12);5H,1-4H2,(H,8,9);5H,1-4H2;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;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?

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 has a molecular weight of 1691.74 g/mol, XLogP of 13.63, 5 rotatable bonds, 3 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 158404073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).