3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

C12H12N2O4 — CID 117252400

IUPAC3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C12H12N2O4/c1-2-4-8-13-9(12(17)18)10-7(11(15)16)5-3-6-14(8)10/h3,5-6H,2,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyQHEIYAWTZWFTTH-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.68
Rot. Bonds4

About 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (PubChem CID 117252400) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
PubChem CID117252400
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C12H12N2O4/c1-2-4-8-13-9(12(17)18)10-7(11(15)16)5-3-6-14(8)10/h3,5-6H,2,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyQHEIYAWTZWFTTH-UHFFFAOYSA-N
XLogP1.68
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252602
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252114
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255040

Frequently Asked Questions

What is the IUPAC name of 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The IUPAC name of 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (CID 117252400) is 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.
What is the SMILES notation for 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The canonical SMILES for 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is CCCc1nc(C(=O)O)c2c(C(=O)O)cccn12.
What is the InChIKey of 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The InChIKey is QHEIYAWTZWFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-4-8-13-9(12(17)18)10-7(11(15)16)5-3-6-14(8)10/h3,5-6H,2,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is sourced from PubChem (CID 117252400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).