3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C12H12N2O3 — CID 116984046

IUPAC3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(=O)CCc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C12H12N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyKOVNLSZUTNSBHC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.55
Rot. Bonds4

About 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid

3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984046) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984046
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(=O)CCc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C12H12N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyKOVNLSZUTNSBHC-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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Related Compounds

3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984055
3-(2-carboxyethyl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743042

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984046) is 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(=O)CCc1nc(C(=O)O)c2ccccn12.
What is the InChIKey of 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KOVNLSZUTNSBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)5-6-10-13-11(12(16)17)9-4-2-3-7-14(9)10/h2-4,7H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-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 3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).