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

C20H22FN5O3Si — CID 71279746

IUPAC2-(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(-c3ncn4cc(F)ccc34)cnc21
InChIInChI=1S/C20H22FN5O3Si/c1-30(2,3)7-6-29-12-26-10-14(20(27)28)17-19(26)22-8-15(24-17)18-16-5-4-13(21)9-25(16)11-23-18/h4-5,8-11H,6-7,12H2,1-3H3,(H,27,28)
InChIKeyLBNMYKYNBDUKCI-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.90
Rot. Bonds7

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

2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279746) has the molecular formula C20H22FN5O3Si and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279746
Molecular FormulaC20H22FN5O3Si
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name2-(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(-c3ncn4cc(F)ccc34)cnc21
InChIInChI=1S/C20H22FN5O3Si/c1-30(2,3)7-6-29-12-26-10-14(20(27)28)17-19(26)22-8-15(24-17)18-16-5-4-13(21)9-25(16)11-23-18/h4-5,8-11H,6-7,12H2,1-3H3,(H,27,28)
InChIKeyLBNMYKYNBDUKCI-UHFFFAOYSA-N
XLogP3.90
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.90
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-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279746) is 2-(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-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(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(-c3ncn4cc(F)ccc34)cnc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is LBNMYKYNBDUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3Si/c1-30(2,3)7-6-29-12-26-10-14(20(27)28)17-19(26)22-8-15(24-17)18-16-5-4-13(21)9-25(16)11-23-18/h4-5,8-11H,6-7,12H2,1-3H3,(H,27,28).
What are the key properties of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 427.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).