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

C26H36Br2N6O5Si2 — CID 161107897

IUPAC2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C13H18BrN3O3Si.C13H18BrN3O2Si/c1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-7H,4-5,8H2,1-3H3,(H,18,19);6-8H,4-5,9H2,1-3H3
InChIKeyUJHKOQSFTVXDKE-UHFFFAOYSA-N
MW728.59 g/mol
LogP6.52
Rot. Bonds12

About 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

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 (PubChem CID 161107897) has the molecular formula C26H36Br2N6O5Si2 and a molecular weight of 728.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID161107897
Molecular FormulaC26H36Br2N6O5Si2
Molecular Weight728.59 g/mol
Exact Mass726.07
IUPAC Name2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C13H18BrN3O3Si.C13H18BrN3O2Si/c1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-7H,4-5,8H2,1-3H3,(H,18,19);6-8H,4-5,9H2,1-3H3
InChIKeyUJHKOQSFTVXDKE-UHFFFAOYSA-N
XLogP6.52
TPSA134.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.59
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 158936067
5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 58522443
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-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 161009234
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
2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine
CID 162032599
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.
What is the InChIKey of 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?
The InChIKey is UJHKOQSFTVXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3Si.C13H18BrN3O2Si/c1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-7H,4-5,8H2,1-3H3,(H,18,19);6-8H,4-5,9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 728.59 g/mol, XLogP of 6.52, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).