8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C16H14N2O4 — CID 117255555

IUPAC8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccn2c(COc3ccccc3)nc(C(=O)O)c12
InChIInChI=1S/C16H14N2O4/c1-21-12-8-5-9-18-13(17-14(15(12)18)16(19)20)10-22-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHAZMGBOVFJVCSB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.62
Rot. Bonds5

About 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255555) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255555
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccn2c(COc3ccccc3)nc(C(=O)O)c12
InChIInChI=1S/C16H14N2O4/c1-21-12-8-5-9-18-13(17-14(15(12)18)16(19)20)10-22-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHAZMGBOVFJVCSB-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254731
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255306
3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252544
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255555) is 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COc1cccn2c(COc3ccccc3)nc(C(=O)O)c12.
What is the InChIKey of 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HAZMGBOVFJVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-12-8-5-9-18-13(17-14(15(12)18)16(19)20)10-22-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).