2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

C13H20BrN3OSi — CID 86642309

IUPAC2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C13H20BrN3OSi/c1-10-8-17(9-18-5-6-19(2,3)4)13-12(10)16-11(14)7-15-13/h7-8H,5-6,9H2,1-4H3
InChIKeyKPCSELGLOGYUHQ-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.81
Rot. Bonds5

About 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (PubChem CID 86642309) has the molecular formula C13H20BrN3OSi and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
PubChem CID86642309
Molecular FormulaC13H20BrN3OSi
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C13H20BrN3OSi/c1-10-8-17(9-18-5-6-19(2,3)4)13-12(10)16-11(14)7-15-13/h7-8H,5-6,9H2,1-4H3
InChIKeyKPCSELGLOGYUHQ-UHFFFAOYSA-N
XLogP3.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-[[2-bromo-7-(2-tert-butyl-1,3-dioxol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 141242228
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-bromo-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89424916
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168
2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86677968
tert-butyl 4-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141466932
N-[(3R,5S)-5-aminooxan-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574172
2-bromo-N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86657869
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (CID 86642309) is 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is Cc1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.
What is the InChIKey of 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KPCSELGLOGYUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OSi/c1-10-8-17(9-18-5-6-19(2,3)4)13-12(10)16-11(14)7-15-13/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 342.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86642309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).