6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium

C66H85BrN15O3SnV- — CID 159962826

IUPAC6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium
SMILESC.CCCC[Sn](CCCC)(CCCC)c1cncn1C.Cn1cc(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cn1.Cn1cc(CC(=O)O)cn1.Cn1cncc1-c1ccc2cnc(N)cc2c1.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V]
InChIInChI=1S/C20H19N5O.C13H12N4.C9H7BrN2.C6H8N2O2.C4H5N2.3C4H9.CH4.CH3.Sn.V/c1-24-13-21-11-20(24)15-3-4-16-10-22-18(7-17(16)6-15)8-19(26)5-14-9-23-25(2)12-14;1-17-8-15-7-12(17)9-2-3-10-6-16-13(14)5-11(10)4-9;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-8-4-5(3-7-8)2-6(9)10;1-6-3-2-5-4-6;3*1-3-4-2;;;;/h3-4,6-7,9-13H,5,8H2,1-2H3;2-8H,1H3,(H2,14,16);1-5H,(H2,11,12);3-4H,2H2,1H3,(H,9,10);2,4H,1H3;3*1,3-4H2,2H3;1H4;1H3;;/q;;;;;;;;;-1;;
InChIKeyMYWZDOMDGPTHBY-UHFFFAOYSA-N
MW1386.07 g/mol
LogP13.13
Rot. Bonds18

About 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium

6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium (PubChem CID 159962826) has the molecular formula C66H85BrN15O3SnV- and a molecular weight of 1386.07 g/mol. Its IUPAC name is 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium.

Molecular Properties

Compound Name6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium
PubChem CID159962826
Molecular FormulaC66H85BrN15O3SnV-
Molecular Weight1386.07 g/mol
Exact Mass1385.46
IUPAC Name6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium
SMILESC.CCCC[Sn](CCCC)(CCCC)c1cncn1C.Cn1cc(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cn1.Cn1cc(CC(=O)O)cn1.Cn1cncc1-c1ccc2cnc(N)cc2c1.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V]
InChIInChI=1S/C20H19N5O.C13H12N4.C9H7BrN2.C6H8N2O2.C4H5N2.3C4H9.CH4.CH3.Sn.V/c1-24-13-21-11-20(24)15-3-4-16-10-22-18(7-17(16)6-15)8-19(26)5-14-9-23-25(2)12-14;1-17-8-15-7-12(17)9-2-3-10-6-16-13(14)5-11(10)4-9;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-8-4-5(3-7-8)2-6(9)10;1-6-3-2-5-4-6;3*1-3-4-2;;;;/h3-4,6-7,9-13H,5,8H2,1-2H3;2-8H,1H3,(H2,14,16);1-5H,(H2,11,12);3-4H,2H2,1H3,(H,9,10);2,4H,1H3;3*1,3-4H2,2H3;1H4;1H3;;/q;;;;;;;;;-1;;
InChIKeyMYWZDOMDGPTHBY-UHFFFAOYSA-N
XLogP13.13
TPSA234.18 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.07
LogP ≤ 513.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium with MolForge

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Related Compounds

6-Bromoisoquinolin-3-amine;carbanide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)-4-pyridinyl]ethanone;2,2,5,5-tetradeuteriopyrrolidine;tributyl-(3-methylimidazol-4-yl)stannane;vanadium
CID 159293932
1-(6-Bromoisoquinolin-3-yl)-3-piperidin-1-ylpropan-2-one;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;tributyl-(2-methylpyrazol-3-yl)stannane
CID 159451846
6-Bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium
CID 161843119

Frequently Asked Questions

What is the IUPAC name of 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium?
The IUPAC name of 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium (CID 159962826) is 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium.
What is the SMILES notation for 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium?
The canonical SMILES for 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium is C.CCCC[Sn](CCCC)(CCCC)c1cncn1C.Cn1cc(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cn1.Cn1cc(CC(=O)O)cn1.Cn1cncc1-c1ccc2cnc(N)cc2c1.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V].
What is the InChIKey of 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium?
The InChIKey is MYWZDOMDGPTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C13H12N4.C9H7BrN2.C6H8N2O2.C4H5N2.3C4H9.CH4.CH3.Sn.V/c1-24-13-21-11-20(24)15-3-4-16-10-22-18(7-17(16)6-15)8-19(26)5-14-9-23-25(2)12-14;1-17-8-15-7-12(17)9-2-3-10-6-16-13(14)5-11(10)4-9;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-8-4-5(3-7-8)2-6(9)10;1-6-3-2-5-4-6;3*1-3-4-2;;;;/h3-4,6-7,9-13H,5,8H2,1-2H3;2-8H,1H3,(H2,14,16);1-5H,(H2,11,12);3-4H,2H2,1H3,(H,9,10);2,4H,1H3;3*1,3-4H2,2H3;1H4;1H3;;/q;;;;;;;;;-1;;.
What are the key properties of 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium?
6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium has a molecular weight of 1386.07 g/mol, XLogP of 13.13, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoisoquinolin-3-amine;carbanide;methane;6-(3-methylimidazol-4-yl)isoquinolin-3-amine;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-(1-methylpyrazol-4-yl)acetic acid;tributyl-(3-methylimidazol-4-yl)stannane;vanadium is sourced from PubChem (CID 159962826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).