6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C12H12N2O3 — CID 71280499

IUPAC6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(=O)CCc1ccc2ncc(C(=O)O)n2c1
InChIInChI=1S/C12H12N2O3/c1-8(15)2-3-9-4-5-11-13-6-10(12(16)17)14(11)7-9/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyFQFWKACTJHCRAK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.55
Rot. Bonds4

About 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid

6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 71280499) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID71280499
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(=O)CCc1ccc2ncc(C(=O)O)n2c1
InChIInChI=1S/C12H12N2O3/c1-8(15)2-3-9-4-5-11-13-6-10(12(16)17)14(11)7-9/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyFQFWKACTJHCRAK-UHFFFAOYSA-N
XLogP1.55
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 71280499) is 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid is CC(=O)CCc1ccc2ncc(C(=O)O)n2c1.
What is the InChIKey of 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FQFWKACTJHCRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)2-3-9-4-5-11-13-6-10(12(16)17)14(11)7-9/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 71280499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).