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

C17H23N5O3Si — CID 71236485

IUPAC2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1cnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C17H23N5O3Si/c1-21-9-14(19-10-21)13-7-18-16-15(20-13)12(17(23)24)8-22(16)11-25-5-6-26(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,23,24)
InChIKeyXRRANTJSWFHJIM-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.84
Rot. Bonds7

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

2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236485) has the molecular formula C17H23N5O3Si and a molecular weight of 373.49 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236485
Molecular FormulaC17H23N5O3Si
Molecular Weight373.49 g/mol
Exact Mass373.16
IUPAC Name2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1cnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C17H23N5O3Si/c1-21-9-14(19-10-21)13-7-18-16-15(20-13)12(17(23)24)8-22(16)11-25-5-6-26(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,23,24)
InChIKeyXRRANTJSWFHJIM-UHFFFAOYSA-N
XLogP2.84
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236485) is 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1cnc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is XRRANTJSWFHJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3Si/c1-21-9-14(19-10-21)13-7-18-16-15(20-13)12(17(23)24)8-22(16)11-25-5-6-26(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,23,24).
What are the key properties of 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 373.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).