1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol

C14H20BrN3O2Si — CID 88906942

IUPAC1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
SMILESC=C(O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C14H20BrN3O2Si/c1-10(19)11-8-18(9-20-5-6-21(2,3)4)14-13(11)17-12(15)7-16-14/h7-8,19H,1,5-6,9H2,2-4H3
InChIKeyQULHXLDDEFRORB-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol (PubChem CID 88906942) has the molecular formula C14H20BrN3O2Si and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol.

Molecular Properties

Compound Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
PubChem CID88906942
Molecular FormulaC14H20BrN3O2Si
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
SMILESC=C(O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C14H20BrN3O2Si/c1-10(19)11-8-18(9-20-5-6-21(2,3)4)14-13(11)17-12(15)7-16-14/h7-8,19H,1,5-6,9H2,2-4H3
InChIKeyQULHXLDDEFRORB-UHFFFAOYSA-N
XLogP4.03
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
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-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
N-[(3R,5S)-5-aminooxan-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574172
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-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86657869
1-(2-anilino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;1-[2-anilino-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 159711522
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol?
The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol (CID 88906942) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol.
What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol?
The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol is C=C(O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.
What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol?
The InChIKey is QULHXLDDEFRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2Si/c1-10(19)11-8-18(9-20-5-6-21(2,3)4)14-13(11)17-12(15)7-16-14/h7-8,19H,1,5-6,9H2,2-4H3.
What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol?
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol has a molecular weight of 370.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol is sourced from PubChem (CID 88906942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).