2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C19H30N4O3Si — CID 89453137

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC1(C)CCN(c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C19H30N4O3Si/c1-19(2)6-7-22(12-19)15-10-20-17-16(21-15)14(18(24)25)11-23(17)13-26-8-9-27(3,4)5/h10-11H,6-9,12-13H2,1-5H3,(H,24,25)
InChIKeyUFSIDDGWHQMFDG-UHFFFAOYSA-N
MW390.56 g/mol
LogP3.68
Rot. Bonds7

About 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 89453137) has the molecular formula C19H30N4O3Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID89453137
Molecular FormulaC19H30N4O3Si
Molecular Weight390.56 g/mol
Exact Mass390.21
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC1(C)CCN(c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C19H30N4O3Si/c1-19(2)6-7-22(12-19)15-10-20-17-16(21-15)14(18(24)25)11-23(17)13-26-8-9-27(3,4)5/h10-11H,6-9,12-13H2,1-5H3,(H,24,25)
InChIKeyUFSIDDGWHQMFDG-UHFFFAOYSA-N
XLogP3.68
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 53.68
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-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 89453137) is 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC1(C)CCN(c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UFSIDDGWHQMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3Si/c1-19(2)6-7-22(12-19)15-10-20-17-16(21-15)14(18(24)25)11-23(17)13-26-8-9-27(3,4)5/h10-11H,6-9,12-13H2,1-5H3,(H,24,25).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 390.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 89453137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).