2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C31H43BrN8O5Si2 — CID 161057659

IUPAC2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C18H25N5O3Si.C13H18BrN3O2Si/c1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h8-11H,5-7,12H2,1-4H3,(H,24,25);6-8H,4-5,9H2,1-3H3
InChIKeyUCYUORHRSSRYKS-UHFFFAOYSA-N
MW743.81 g/mol
LogP6.64
Rot. Bonds14

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 161057659) has the molecular formula C31H43BrN8O5Si2 and a molecular weight of 743.81 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID161057659
Molecular FormulaC31H43BrN8O5Si2
Molecular Weight743.81 g/mol
Exact Mass742.21
IUPAC Name2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C18H25N5O3Si.C13H18BrN3O2Si/c1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h8-11H,5-7,12H2,1-4H3,(H,24,25);6-8H,4-5,9H2,1-3H3
InChIKeyUCYUORHRSSRYKS-UHFFFAOYSA-N
XLogP6.64
TPSA152.07 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.81
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 161057659) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-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-(1-ethylpyrazol-4-yl)-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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UCYUORHRSSRYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3Si.C13H18BrN3O2Si/c1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h8-11H,5-7,12H2,1-4H3,(H,24,25);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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 743.81 g/mol, XLogP of 6.64, 14 rotatable bonds, 1 hydrogen bond donors, and 12 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-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 161057659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).