3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid

C21H24N2O2 — CID 82035109

IUPAC3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1cccn2c(CCC(=O)O)c(-c3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C21H24N2O2/c1-14-6-5-13-23-17(11-12-18(24)25)19(22-20(14)23)15-7-9-16(10-8-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,25)
InChIKeyLSNJTXPXKHLLBO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.62
Rot. Bonds4

About 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 82035109) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID82035109
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1cccn2c(CCC(=O)O)c(-c3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C21H24N2O2/c1-14-6-5-13-23-17(11-12-18(24)25)19(22-20(14)23)15-7-9-16(10-8-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,25)
InChIKeyLSNJTXPXKHLLBO-UHFFFAOYSA-N
XLogP4.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195720
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
CID 89392592
CID 89392592
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
CID 122382361
2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127972
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 82035109) is 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid is Cc1cccn2c(CCC(=O)O)c(-c3ccc(C(C)(C)C)cc3)nc12.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is LSNJTXPXKHLLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-6-5-13-23-17(11-12-18(24)25)19(22-20(14)23)15-7-9-16(10-8-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 336.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).