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

C21H24FN5O5SSi — CID 71280602

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

2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280602) has the molecular formula C21H24FN5O5SSi and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 71280602
• Molecular Formula: C21H24FN5O5SSi
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.13
• IUPAC Name: 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(S(C)(=O)=O)n4cc(F)ccc34)cnc21
• InChI: InChI=1S/C21H24FN5O5SSi/c1-33(30,31)21-25-18(16-6-5-13(22)10-27(16)21)15-9-23-19-17(24-15)14(20(28)29)11-26(19)12-32-7-8-34(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,28,29)
• InChIKey: RMIVRZDLRCWCSJ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 128.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-methylsulfonylimidazo[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-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280602) is 2-(6-fluoro-3-methylsulfonylimidazo[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-methylsulfonylimidazo[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-methylsulfonylimidazo[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(S(C)(=O)=O)n4cc(F)ccc34)cnc21.

What is the InChIKey of 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is RMIVRZDLRCWCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O5SSi/c1-33(30,31)21-25-18(16-6-5-13(22)10-27(16)21)15-9-23-19-17(24-15)14(20(28)29)11-26(19)12-32-7-8-34(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,28,29).

What are the key properties of 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 505.60 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).