3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C18H18N2O2 — CID 13267859

IUPAC3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CCC(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-7,9,11H,8,10H2,1-2H3,(H,21,22)
InChIKeyUOROXKCDZAHOMH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.64
Rot. Bonds4

About 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 13267859) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID13267859
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CCC(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-7,9,11H,8,10H2,1-2H3,(H,21,22)
InChIKeyUOROXKCDZAHOMH-UHFFFAOYSA-N
XLogP3.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zolpidem
CID 5732
Pirmagrel
CID 55390
Miroprofen
CID 68752
Zolpidem carboxylic acid
CID 11966044
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-3-acetamide, 6-(hydroxymethyl)-N,N-dimethyl-2-(4-methylphenyl)-
CID 13691337
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
3-(6-Amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
CID 11702405
3-(6-Aminopyridin-3-yl)-2-(1-cyclopentyl-1H-imidazol-4-yl)propionic acid
CID 69252172
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H-imidazol-4-yl]-propionic acid
CID 44308370
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-propionic acid
CID 44308385
N-[3-(7-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenyl]-succinamic acid
CID 916222

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 13267859) is 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is Cc1ccc(-c2nc3ccc(C)cn3c2CCC(=O)O)cc1.
What is the InChIKey of 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is UOROXKCDZAHOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-7,9,11H,8,10H2,1-2H3,(H,21,22).
What are the key properties of 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 13267859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).