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

C23H27N5O3Si — CID 71236307

IUPAC2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1-c1ccccc1
InChIInChI=1S/C23H27N5O3Si/c1-16-25-20(14-28(16)17-8-6-5-7-9-17)19-12-24-22-21(26-19)18(23(29)30)13-27(22)15-31-10-11-32(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,29,30)
InChIKeyWNYMHXZIRSKNFW-UHFFFAOYSA-N
MW449.59 g/mol
LogP4.60
Rot. Bonds8

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

2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236307) has the molecular formula C23H27N5O3Si and a molecular weight of 449.59 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236307
Molecular FormulaC23H27N5O3Si
Molecular Weight449.59 g/mol
Exact Mass449.19
IUPAC Name2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1-c1ccccc1
InChIInChI=1S/C23H27N5O3Si/c1-16-25-20(14-28(16)17-8-6-5-7-9-17)19-12-24-22-21(26-19)18(23(29)30)13-27(22)15-31-10-11-32(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,29,30)
InChIKeyWNYMHXZIRSKNFW-UHFFFAOYSA-N
XLogP4.60
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.60
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-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236307) is 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cc1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is WNYMHXZIRSKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3Si/c1-16-25-20(14-28(16)17-8-6-5-7-9-17)19-12-24-22-21(26-19)18(23(29)30)13-27(22)15-31-10-11-32(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,29,30).
What are the key properties of 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 449.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylimidazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).