2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid

C12H12N2O3 — CID 131987124

IUPAC2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid
SMILESCC(CC=O)(C(=O)O)c1ncn2ccccc12
InChIInChI=1S/C12H12N2O3/c1-12(5-7-15,11(16)17)10-9-4-2-3-6-14(9)8-13-10/h2-4,6-8H,5H2,1H3,(H,16,17)
InChIKeyJTSISKRURUSHTE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.27
Rot. Bonds4

About 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid

2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid (PubChem CID 131987124) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid
PubChem CID131987124
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid
SMILESCC(CC=O)(C(=O)O)c1ncn2ccccc12
InChIInChI=1S/C12H12N2O3/c1-12(5-7-15,11(16)17)10-9-4-2-3-6-14(9)8-13-10/h2-4,6-8H,5H2,1H3,(H,16,17)
InChIKeyJTSISKRURUSHTE-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid
CID 54407536
N-(imidazo[1,5-a]pyridin-1-ylmethyl)ethanamine
CID 156748875
1-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine
CID 167682906
ethyl 2-imidazo[1,5-a]pyridin-1-ylacetate
CID 71222577
N-tert-butyl-3-(1-imidazo[1,5-a]pyridin-1-ylethylideneamino)-2-methylidenebut-3-enamide
CID 123220721
N-butylimidazo[1,5-a]pyridine-1-carboxamide
CID 142478784
1-bromoimidazo[1,5-a]pyridine;ethane
CID 144796494
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
N-(imidazo[1,5-a]pyridin-1-ylmethyl)propan-1-amine
CID 167286765
dimethyl 4-imidazo[1,5-a]pyridin-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14098295
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
2-chloro-4-oxo-2-phenylbutanoic acid
CID 151405289

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid?
The IUPAC name of 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid (CID 131987124) is 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid is CC(CC=O)(C(=O)O)c1ncn2ccccc12.
What is the InChIKey of 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid?
The InChIKey is JTSISKRURUSHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-12(5-7-15,11(16)17)10-9-4-2-3-6-14(9)8-13-10/h2-4,6-8H,5H2,1H3,(H,16,17).
What are the key properties of 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid?
2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyridin-1-yl-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 131987124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).