3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

C13H14N2O4 — CID 84742707

IUPAC3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESCC(C)(C)c1nc(C(=O)O)c2ccc(C(=O)O)cn12
InChIInChI=1S/C13H14N2O4/c1-13(2,3)12-14-9(11(18)19)8-5-4-7(10(16)17)6-15(8)12/h4-6H,1-3H3,(H,16,17)(H,18,19)
InChIKeyLAHZZNNIATYSAN-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.03
Rot. Bonds2

About 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (PubChem CID 84742707) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
PubChem CID84742707
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESCC(C)(C)c1nc(C(=O)O)c2ccc(C(=O)O)cn12
InChIInChI=1S/C13H14N2O4/c1-13(2,3)12-14-9(11(18)19)8-5-4-7(10(16)17)6-15(8)12/h4-6H,1-3H3,(H,16,17)(H,18,19)
InChIKeyLAHZZNNIATYSAN-UHFFFAOYSA-N
XLogP2.03
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 84745462
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047
1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251411
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
CID 82356691
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84740352
1-chloro-3-(4-chlorophenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251414
3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 103022465
6-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
6-bromo-3-tert-butyl-1-methylimidazo[1,5-a]pyridine
CID 83844637
3-(4-fluorophenyl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251462

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The IUPAC name of 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (CID 84742707) is 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.
What is the SMILES notation for 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The canonical SMILES for 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is CC(C)(C)c1nc(C(=O)O)c2ccc(C(=O)O)cn12.
What is the InChIKey of 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The InChIKey is LAHZZNNIATYSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-13(2,3)12-14-9(11(18)19)8-5-4-7(10(16)17)6-15(8)12/h4-6H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 84742707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).