2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C20H21F2N5O3Si — CID 71280264

IUPAC2-(6,8-difluoroimidazo[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)cc(F)c34)cnc21
InChIInChI=1S/C20H21F2N5O3Si/c1-31(2,3)5-4-30-11-27-9-13(20(28)29)16-19(27)23-7-15(25-16)17-18-14(22)6-12(21)8-26(18)10-24-17/h6-10H,4-5,11H2,1-3H3,(H,28,29)
InChIKeyUCCIZGWUJYBSSC-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.03
Rot. Bonds7

About 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280264) has the molecular formula C20H21F2N5O3Si and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280264
Molecular FormulaC20H21F2N5O3Si
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Name2-(6,8-difluoroimidazo[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)cc(F)c34)cnc21
InChIInChI=1S/C20H21F2N5O3Si/c1-31(2,3)5-4-30-11-27-9-13(20(28)29)16-19(27)23-7-15(25-16)17-18-14(22)6-12(21)8-26(18)10-24-17/h6-10H,4-5,11H2,1-3H3,(H,28,29)
InChIKeyUCCIZGWUJYBSSC-UHFFFAOYSA-N
XLogP4.03
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.03
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-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280264) is 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6,8-difluoroimidazo[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)cc(F)c34)cnc21.
What is the InChIKey of 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UCCIZGWUJYBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3Si/c1-31(2,3)5-4-30-11-27-9-13(20(28)29)16-19(27)23-7-15(25-16)17-18-14(22)6-12(21)8-26(18)10-24-17/h6-10H,4-5,11H2,1-3H3,(H,28,29).
What are the key properties of 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 445.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).