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

C21H24FN5O4Si — CID 71280136

IUPAC2-[6-fluoro-3-(hydroxymethyl)imidazo[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(CO)n4cc(F)ccc34)cnc21
InChIInChI=1S/C21H24FN5O4Si/c1-32(2,3)7-6-31-12-26-10-14(21(29)30)18-20(26)23-8-15(24-18)19-16-5-4-13(22)9-27(16)17(11-28)25-19/h4-5,8-10,28H,6-7,11-12H2,1-3H3,(H,29,30)
InChIKeyUUOWCDBQXYSUBG-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.39
Rot. Bonds8

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

2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280136) has the molecular formula C21H24FN5O4Si and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280136
Molecular FormulaC21H24FN5O4Si
Molecular Weight457.54 g/mol
Exact Mass457.16
IUPAC Name2-[6-fluoro-3-(hydroxymethyl)imidazo[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(CO)n4cc(F)ccc34)cnc21
InChIInChI=1S/C21H24FN5O4Si/c1-32(2,3)7-6-31-12-26-10-14(21(29)30)18-20(26)23-8-15(24-18)19-16-5-4-13(22)9-27(16)17(11-28)25-19/h4-5,8-10,28H,6-7,11-12H2,1-3H3,(H,29,30)
InChIKeyUUOWCDBQXYSUBG-UHFFFAOYSA-N
XLogP3.39
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280136) is 2-[6-fluoro-3-(hydroxymethyl)imidazo[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-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-3-(hydroxymethyl)imidazo[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(CO)n4cc(F)ccc34)cnc21.
What is the InChIKey of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UUOWCDBQXYSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4Si/c1-32(2,3)7-6-31-12-26-10-14(21(29)30)18-20(26)23-8-15(24-18)19-16-5-4-13(22)9-27(16)17(11-28)25-19/h4-5,8-10,28H,6-7,11-12H2,1-3H3,(H,29,30).
What are the key properties of 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 457.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).