2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C21H25N5O3Si — CID 71279419

IUPAC2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1ccc2c(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)ncn2c1
InChIInChI=1S/C21H25N5O3Si/c1-14-5-6-17-19(23-12-25(17)10-14)16-9-22-20-18(24-16)15(21(27)28)11-26(20)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3,(H,27,28)
InChIKeyNQTNWLQJETXCEA-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.06
Rot. Bonds7

About 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279419) has the molecular formula C21H25N5O3Si and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279419
Molecular FormulaC21H25N5O3Si
Molecular Weight423.55 g/mol
Exact Mass423.17
IUPAC Name2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1ccc2c(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)ncn2c1
InChIInChI=1S/C21H25N5O3Si/c1-14-5-6-17-19(23-12-25(17)10-14)16-9-22-20-18(24-16)15(21(27)28)11-26(20)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3,(H,27,28)
InChIKeyNQTNWLQJETXCEA-UHFFFAOYSA-N
XLogP4.06
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.06
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'}

Analyze 2-(6-methylimidazo[1,5-a]pyridin-1-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-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279419) is 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cc1ccc2c(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)ncn2c1.
What is the InChIKey of 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is NQTNWLQJETXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3Si/c1-14-5-6-17-19(23-12-25(17)10-14)16-9-22-20-18(24-16)15(21(27)28)11-26(20)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3,(H,27,28).
What are the key properties of 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 423.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).