3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid

C16H14N2O2 — CID 117142785

IUPAC3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cc2ncc3cccc(C(=O)O)n23)cc1
InChIInChI=1S/C16H14N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyZRQZHAPJIYPLTB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid

3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117142785) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117142785
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cc2ncc3cccc(C(=O)O)n23)cc1
InChIInChI=1S/C16H14N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyZRQZHAPJIYPLTB-UHFFFAOYSA-N
XLogP2.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117142060
3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142430
3-benzyl-5-chloroimidazo[1,5-a]pyridine
CID 117141926
3-cyclobutylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83835843
3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridin-5-amine
CID 117142070
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149400
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 84737927
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140304
methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142431
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141123

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117142785) is 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid is Cc1ccc(Cc2ncc3cccc(C(=O)O)n23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ZRQZHAPJIYPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid?
3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).