3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C20H22N2O3 — CID 82035102

IUPAC3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCCCOc1ccc(-c2nc3cc(C)ccn3c2CCC(=O)O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,23,24)
InChIKeyPQWCEQGAHVOBRR-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.12
Rot. Bonds7

About 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 82035102) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID82035102
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCCCOc1ccc(-c2nc3cc(C)ccn3c2CCC(=O)O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,23,24)
InChIKeyPQWCEQGAHVOBRR-UHFFFAOYSA-N
XLogP4.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid with MolForge

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Related Compounds

[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199352
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
3-[5-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035083
2-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030415
ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170885569
N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
CID 14773969
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
CID 42694072
[3-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059872
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenoxyacetamide
CID 3351755
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate
CID 70030368
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620

Frequently Asked Questions

What is the IUPAC name of 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 82035102) is 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is CCCOc1ccc(-c2nc3cc(C)ccn3c2CCC(=O)O)cc1.
What is the InChIKey of 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is PQWCEQGAHVOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 338.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82035102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).