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

C69H72Br2N17O3W- — CID 160782004

IUPAC7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten
SMILESCC(C)n1cnnc1-c1cccc(Br)n1.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2.Cc1cc2cc[nH]c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2cc[nH]c(=O)c2cc1Br.[CH3-].[W].c1ncc(C2CC2)[nH]1
InChIInChI=1S/C26H27N7O.C16H15N3O.C10H11BrN4.C10H8BrNO.C6H8N2.CH3.W/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18;1-10-6-12-4-5-17-16(20)13(12)7-15(10)19-8-14(18-9-19)11-2-3-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-6-4-7-2-3-12-10(13)8(7)5-9(6)11;1-2-5(1)6-3-7-4-8-6;;/h4-6,11-16,18H,7-10H2,1-3H3;4-9,11H,2-3H2,1H3,(H,17,20);3-7H,1-2H3;2-5H,1H3,(H,12,13);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1;
InChIKeySSJAEEMXDVIREL-UHFFFAOYSA-N
MW1531.10 g/mol
LogP14.41
Rot. Bonds10

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

7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten (PubChem CID 160782004) has the molecular formula C69H72Br2N17O3W- and a molecular weight of 1531.10 g/mol. Its IUPAC name is 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten.

Molecular Properties

Compound Name7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten
PubChem CID160782004
Molecular FormulaC69H72Br2N17O3W-
Molecular Weight1531.10 g/mol
Exact Mass1528.39
IUPAC Name7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten
SMILESCC(C)n1cnnc1-c1cccc(Br)n1.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2.Cc1cc2cc[nH]c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2cc[nH]c(=O)c2cc1Br.[CH3-].[W].c1ncc(C2CC2)[nH]1
InChIInChI=1S/C26H27N7O.C16H15N3O.C10H11BrN4.C10H8BrNO.C6H8N2.CH3.W/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18;1-10-6-12-4-5-17-16(20)13(12)7-15(10)19-8-14(18-9-19)11-2-3-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-6-4-7-2-3-12-10(13)8(7)5-9(6)11;1-2-5(1)6-3-7-4-8-6;;/h4-6,11-16,18H,7-10H2,1-3H3;4-9,11H,2-3H2,1H3,(H,17,20);3-7H,1-2H3;2-5H,1H3,(H,12,13);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1;
InChIKeySSJAEEMXDVIREL-UHFFFAOYSA-N
XLogP14.41
TPSA237.55 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.10
LogP ≤ 514.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Related Compounds

CID 165030804
CID 165030804
7-[4-[2-[2-[3-[6-[7-(4-Cyclopropylimidazol-1-yl)-6-methyl-1-oxoisoquinolin-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]cyclopropyl]imidazol-1-yl]-4-fluoro-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one
CID 166763708
7-(4-Cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one
CID 153538812
7-(4-Cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 153538835
CID 157582270
CID 157582270
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
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-bromo-1-methylimidazole;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;6-(1-methylimidazol-2-yl)-2,3-dihydroisoindol-1-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158314233
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten?
The IUPAC name of 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten (CID 160782004) is 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten.
What is the SMILES notation for 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten?
The canonical SMILES for 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten is CC(C)n1cnnc1-c1cccc(Br)n1.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2.Cc1cc2cc[nH]c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2cc[nH]c(=O)c2cc1Br.[CH3-].[W].c1ncc(C2CC2)[nH]1.
What is the InChIKey of 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten?
The InChIKey is SSJAEEMXDVIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O.C16H15N3O.C10H11BrN4.C10H8BrNO.C6H8N2.CH3.W/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18;1-10-6-12-4-5-17-16(20)13(12)7-15(10)19-8-14(18-9-19)11-2-3-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-6-4-7-2-3-12-10(13)8(7)5-9(6)11;1-2-5(1)6-3-7-4-8-6;;/h4-6,11-16,18H,7-10H2,1-3H3;4-9,11H,2-3H2,1H3,(H,17,20);3-7H,1-2H3;2-5H,1H3,(H,12,13);3-5H,1-2H2,(H,7,8);1H3;/q;;;;;-1;.
What are the key properties of 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten?
7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten has a molecular weight of 1531.10 g/mol, XLogP of 14.41, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-2H-isoquinolin-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2H-isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;tungsten is sourced from PubChem (CID 160782004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).