7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten

C₆₆H₆₇Br₂Cl₃N₁₇O₃W- — CID 159837695

About 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten

7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten (PubChem CID 159837695) has the molecular formula C₆₆H₆₇Br₂Cl₃N₁₇O₃W- and a molecular weight of 1596.38 g/mol. Its IUPAC name is 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten.

Molecular Properties

• Compound Name: 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten
• PubChem CID: 159837695
• Molecular Formula: C₆₆H₆₇Br₂Cl₃N₁₇O₃W-
• Molecular Weight: 1596.38 g/mol
• Exact Mass: 1592.26
• IUPAC Name: 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten
• SMILES: CC(C)n1cnnc1-c1cccc(Br)n1.CC(C)n1cnnc1-c1cccc(N2CCc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3C2=O)n1.O=C1NCCc2cc(Cl)c(-n3cnc(C4CC4)c3)cc21.O=C1NCCc2cc(Cl)c(Br)cc21.[CH3-].[W].c1ncc(C2CC2)[nH]1
• InChI: InChI=1S/C25H24ClN7O.C15H14ClN3O.C10H11BrN4.C9H7BrClNO.C6H8N2.CH3.W/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-9-8-17-10-19(26)22(11-18(17)25(32)34)31-12-21(27-13-31)16-6-7-16;16-12-5-10-3-4-17-15(20)11(10)6-14(12)19-7-13(18-8-19)9-1-2-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;10-7-4-6-5(3-8(7)11)1-2-12-9(6)13;1-2-5(1)6-3-7-4-8-6;;/h3-5,10-16H,6-9H2,1-2H3;5-9H,1-4H2,(H,17,20);3-7H,1-2H3;3-4H,1-2H2,(H,12,13);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1
• InChIKey: DRIHJCZJSKPWNY-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 230.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.38
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten?

The IUPAC name of 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten (CID 159837695) is 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten.

What is the SMILES notation for 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten?

The canonical SMILES for 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten is CC(C)n1cnnc1-c1cccc(Br)n1.CC(C)n1cnnc1-c1cccc(N2CCc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3C2=O)n1.O=C1NCCc2cc(Cl)c(-n3cnc(C4CC4)c3)cc21.O=C1NCCc2cc(Cl)c(Br)cc21.[CH3-].[W].c1ncc(C2CC2)[nH]1.

What is the InChIKey of 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten?

The InChIKey is DRIHJCZJSKPWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O.C15H14ClN3O.C10H11BrN4.C9H7BrClNO.C6H8N2.CH3.W/c1-15(2)33-14-28-30-24(33)20-4-3-5-23(29-20)32-9-8-17-10-19(26)22(11-18(17)25(32)34)31-12-21(27-13-31)16-6-7-16;16-12-5-10-3-4-17-15(20)11(10)6-14(12)19-7-13(18-8-19)9-1-2-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;10-7-4-6-5(3-8(7)11)1-2-12-9(6)13;1-2-5(1)6-3-7-4-8-6;;/h3-5,10-16H,6-9H2,1-2H3;5-9H,1-4H2,(H,17,20);3-7H,1-2H3;3-4H,1-2H2,(H,12,13);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1;.

What are the key properties of 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten?

7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten has a molecular weight of 1596.38 g/mol, XLogP of 14.34, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-6-chloro-3,4-dihydro-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;6-chloro-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;6-chloro-7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;5-cyclopropyl-1H-imidazole;tungsten is sourced from PubChem (CID 159837695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159837695 — identifiers, structure, computed properties (public domain)

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