3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid

C16H12N2O5 — CID 117252602

IUPAC3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c3c(C(=O)O)cccn23)cc1
InChIInChI=1S/C16H12N2O5/c1-23-10-6-4-9(5-7-10)14-17-12(16(21)22)13-11(15(19)20)3-2-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyBVQHVSMYCFDCHL-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid

3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid (PubChem CID 117252602) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
PubChem CID117252602
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c3c(C(=O)O)cccn23)cc1
InChIInChI=1S/C16H12N2O5/c1-23-10-6-4-9(5-7-10)14-17-12(16(21)22)13-11(15(19)20)3-2-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyBVQHVSMYCFDCHL-UHFFFAOYSA-N
XLogP2.41
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252544
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252626
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84609069
[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-pyridin-2-ylmethanone
CID 11023969
2-(4-methoxyphenyl)quinoline-8-carboxylic acid
CID 125495985
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid (CID 117252602) is 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid is COc1ccc(-c2nc(C(=O)O)c3c(C(=O)O)cccn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The InChIKey is BVQHVSMYCFDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-23-10-6-4-9(5-7-10)14-17-12(16(21)22)13-11(15(19)20)3-2-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid is sourced from PubChem (CID 117252602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).