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

C18H22N4O3Si — CID 67008900

IUPAC2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccccn3)cnc21
InChIInChI=1S/C18H22N4O3Si/c1-26(2,3)9-8-25-12-22-11-13(18(23)24)16-17(22)20-10-15(21-16)14-6-4-5-7-19-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24)
InChIKeyAZSZLHLVGNZVGR-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.50
Rot. Bonds7

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

2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 67008900) has the molecular formula C18H22N4O3Si and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID67008900
Molecular FormulaC18H22N4O3Si
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccccn3)cnc21
InChIInChI=1S/C18H22N4O3Si/c1-26(2,3)9-8-25-12-22-11-13(18(23)24)16-17(22)20-10-15(21-16)14-6-4-5-7-19-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24)
InChIKeyAZSZLHLVGNZVGR-UHFFFAOYSA-N
XLogP3.50
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 67008900) is 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccccn3)cnc21.
What is the InChIKey of 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is AZSZLHLVGNZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3Si/c1-26(2,3)9-8-25-12-22-11-13(18(23)24)16-17(22)20-10-15(21-16)14-6-4-5-7-19-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24).
What are the key properties of 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 67008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).