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

C71H67Br2F3N17O3W- — CID 159529290

About 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

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 (PubChem CID 159529290) has the molecular formula C71H67Br2F3N17O3W- and a molecular weight of 1607.07 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159529290
• Molecular Formula: C71H67Br2F3N17O3W-
• Molecular Weight: 1607.07 g/mol
• Exact Mass: 1604.34
• IUPAC Name: 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
• SMILES: Brc1cccc(-c2nnc3n2CCCC3)n1.Cc1cc2c(F)c[nH]c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2c(F)c[nH]c(=O)c2cc1Br.Cc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W].c1ncc(C2CC2)[nH]1
• InChI: InChI=1S/C27H24FN7O.C16H14FN3O.C11H11BrN4.C10H7BrFNO.C6H8N2.CH3.W/c1-16-11-18-19(12-23(16)33-14-22(29-15-33)17-8-9-17)27(36)35(13-20(18)28)24-7-4-5-21(30-24)26-32-31-25-6-2-3-10-34(25)26;1-9-4-11-12(16(21)18-6-13(11)17)5-15(9)20-7-14(19-8-20)10-2-3-10;12-9-5-3-4-8(13-9)11-15-14-10-6-1-2-7-16(10)11;1-5-2-6-7(3-8(5)11)10(14)13-4-9(6)12;1-2-5(1)6-3-7-4-8-6;;/h4-5,7,11-15,17H,2-3,6,8-10H2,1H3;4-8,10H,2-3H2,1H3,(H,18,21);3-5H,1-2,6-7H2;2-4H,1H3,(H,13,14);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1
• InChIKey: KJTZWSSFSUKDNV-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 239.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.07
LogP ≤ 5	14.44
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': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Brc1cccc(-c2nnc3n2CCCC3)n1.Cc1cc2c(F)c[nH]c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2c(F)c[nH]c(=O)c2cc1Br.Cc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W].c1ncc(C2CC2)[nH]1.

What is the InChIKey of 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?

The InChIKey is KJTZWSSFSUKDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O.C16H14FN3O.C11H11BrN4.C10H7BrFNO.C6H8N2.CH3.W/c1-16-11-18-19(12-23(16)33-14-22(29-15-33)17-8-9-17)27(36)35(13-20(18)28)24-7-4-5-21(30-24)26-32-31-25-6-2-3-10-34(25)26;1-9-4-11-12(16(21)18-6-13(11)17)5-15(9)20-7-14(19-8-20)10-2-3-10;12-9-5-3-4-8(13-9)11-15-14-10-6-1-2-7-16(10)11;1-5-2-6-7(3-8(5)11)10(14)13-4-9(6)12;1-2-5(1)6-3-7-4-8-6;;/h4-5,7,11-15,17H,2-3,6,8-10H2,1H3;4-8,10H,2-3H2,1H3,(H,18,21);3-5H,1-2,6-7H2;2-4H,1H3,(H,13,14);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1;.

What are the key properties of 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?

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 has a molecular weight of 1607.07 g/mol, XLogP of 14.44, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).