3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C17H16N2O2 — CID 142784458

IUPAC3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyOVUHICISZBNDSZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds3

About 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 142784458) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID142784458
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyOVUHICISZBNDSZ-UHFFFAOYSA-N
XLogP3.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 95101848
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195818
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
N-(2-methylpropyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 53168327
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
2-amino-1-(3-chloroimidazo[1,2-a]pyridin-2-yl)propan-1-one
CID 84688819
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 148555864
[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 87051612

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 142784458) is 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is OVUHICISZBNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 142784458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).