3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid

C18H18N2O2 — CID 42879881

IUPAC3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CC(=O)O)c2cnc3cccc(C)n23)c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-7-14(9-12)15(10-18(21)22)16-11-19-17-8-4-6-13(2)20(16)17/h3-9,11,15H,10H2,1-2H3,(H,21,22)
InChIKeyCAYWQKUSQGMRGN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.56
Rot. Bonds4

About 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid

3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid (PubChem CID 42879881) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
PubChem CID42879881
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CC(=O)O)c2cnc3cccc(C)n23)c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-7-14(9-12)15(10-18(21)22)16-11-19-17-8-4-6-13(2)20(16)17/h3-9,11,15H,10H2,1-2H3,(H,21,22)
InChIKeyCAYWQKUSQGMRGN-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887
N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4302468
3-(2,5-dimethoxyphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879880
N-ethoxy-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782151
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782144
(3S)-3-(4-fluorophenyl)-3-(3-methylphenyl)propanoic acid
CID 42073733
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4075487
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate
CID 42782887
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid (CID 42879881) is 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid is Cc1cccc(C(CC(=O)O)c2cnc3cccc(C)n23)c1.
What is the InChIKey of 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid?
The InChIKey is CAYWQKUSQGMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-5-3-7-14(9-12)15(10-18(21)22)16-11-19-17-8-4-6-13(2)20(16)17/h3-9,11,15H,10H2,1-2H3,(H,21,22).
What are the key properties of 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid?
3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 42879881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).