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

C20H23N5O3Si — CID 71279847

IUPAC2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3cnc4ccccn34)cnc21
InChIInChI=1S/C20H23N5O3Si/c1-29(2,3)9-8-28-13-24-12-14(20(26)27)18-19(24)22-10-15(23-18)16-11-21-17-6-4-5-7-25(16)17/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,27)
InChIKeyQQANJFKVHVVJHJ-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.76
Rot. Bonds7

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

2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279847) has the molecular formula C20H23N5O3Si and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279847
Molecular FormulaC20H23N5O3Si
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3cnc4ccccn34)cnc21
InChIInChI=1S/C20H23N5O3Si/c1-29(2,3)9-8-28-13-24-12-14(20(26)27)18-19(24)22-10-15(23-18)16-11-21-17-6-4-5-7-25(16)17/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,27)
InChIKeyQQANJFKVHVVJHJ-UHFFFAOYSA-N
XLogP3.76
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.76
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-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279847) is 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3cnc4ccccn34)cnc21.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is QQANJFKVHVVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3Si/c1-29(2,3)9-8-28-13-24-12-14(20(26)27)18-19(24)22-10-15(23-18)16-11-21-17-6-4-5-7-25(16)17/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,27).
What are the key properties of 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 409.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).