7-(3-Oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid

HCID 71280803

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)CCc1ccn2c(C(=O)O)cnc2c1
InChIKey: LZOOUWUNJFTMPB-UHFFFAOYSA-N
Molecular formula: C12H12N2O3
Average molar mass: 232.23 g/mol
Monoisotopic mass: 232.08479225

Names & identifiers

Preferred name: 7-(3-Oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
IUPAC: 7-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL14739047LZOOUWUNJFTMPB-UHFFFAOYSA-N7-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid

Database identifiers

PubChem CID: 71280803

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 71.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 319

Related reactions

9 records

New reaction record

HRID 203540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 405819As productuspto-grants-2014_06

HRID 405856As reactantuspto-grants-2014_06

HRID 570335As productuspto-grants-2015_05

HRID 570371As reactantuspto-grants-2015_05

HRID 1045442As productuspto-grants-2013_10

HRID 1045479As reactantuspto-grants-2013_10

HRID 1149725As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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