(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid

C20H20N2O4 — CID 147175818

IUPAC(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
SMILESCCOc1cccn2c(C(=O)C[C@H](C(=O)O)c3ccccc3)c(C)nc12
InChIInChI=1S/C20H20N2O4/c1-3-26-17-10-7-11-22-18(13(2)21-19(17)22)16(23)12-15(20(24)25)14-8-5-4-6-9-14/h4-11,15H,3,12H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyBYPUMEBKOQNGGD-HNNXBMFYSA-N
MW352.39 g/mol
LogP3.48
Rot. Bonds7

About (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid

(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid (PubChem CID 147175818) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
PubChem CID147175818
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
SMILESCCOc1cccn2c(C(=O)C[C@H](C(=O)O)c3ccccc3)c(C)nc12
InChIInChI=1S/C20H20N2O4/c1-3-26-17-10-7-11-22-18(13(2)21-19(17)22)16(23)12-15(20(24)25)14-8-5-4-6-9-14/h4-11,15H,3,12H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyBYPUMEBKOQNGGD-HNNXBMFYSA-N
XLogP3.48
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
CID 159230015
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 158228961
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
CID 159237758
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 147384263
(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
CID 159231447
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
(3R)-3-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 152820733

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid?
The IUPAC name of (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid (CID 147175818) is (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid is CCOc1cccn2c(C(=O)C[C@H](C(=O)O)c3ccccc3)c(C)nc12.
What is the InChIKey of (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid?
The InChIKey is BYPUMEBKOQNGGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-26-17-10-7-11-22-18(13(2)21-19(17)22)16(23)12-15(20(24)25)14-8-5-4-6-9-14/h4-11,15H,3,12H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid?
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 147175818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).