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

C20H21ClFN5O3Si — CID 71280345

IUPAC2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(Cl)n4cc(F)ccc34)cnc21
InChIInChI=1S/C20H21ClFN5O3Si/c1-31(2,3)7-6-30-11-26-10-13(19(28)29)16-18(26)23-8-14(24-16)17-15-5-4-12(22)9-27(15)20(21)25-17/h4-5,8-10H,6-7,11H2,1-3H3,(H,28,29)
InChIKeyGHJNQSLNLUCLEA-UHFFFAOYSA-N
MW461.96 g/mol
LogP4.55
Rot. Bonds7

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

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280345) has the molecular formula C20H21ClFN5O3Si and a molecular weight of 461.96 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280345
Molecular FormulaC20H21ClFN5O3Si
Molecular Weight461.96 g/mol
Exact Mass461.11
IUPAC Name2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(Cl)n4cc(F)ccc34)cnc21
InChIInChI=1S/C20H21ClFN5O3Si/c1-31(2,3)7-6-30-11-26-10-13(19(28)29)16-18(26)23-8-14(24-16)17-15-5-4-12(22)9-27(15)20(21)25-17/h4-5,8-10H,6-7,11H2,1-3H3,(H,28,29)
InChIKeyGHJNQSLNLUCLEA-UHFFFAOYSA-N
XLogP4.55
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 54.55
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-(3-chloro-6-fluoroimidazo[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-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280345) is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(Cl)n4cc(F)ccc34)cnc21.
What is the InChIKey of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is GHJNQSLNLUCLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O3Si/c1-31(2,3)7-6-30-11-26-10-13(19(28)29)16-18(26)23-8-14(24-16)17-15-5-4-12(22)9-27(15)20(21)25-17/h4-5,8-10H,6-7,11H2,1-3H3,(H,28,29).
What are the key properties of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 461.96 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).