(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

C17H20N4O4 — CID 147384263

IUPAC(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
SMILESCCOc1cccn2c(C(=O)C[C@@H](CO)c3nnc(C)o3)c(C)nc12
InChIInChI=1S/C17H20N4O4/c1-4-24-14-6-5-7-21-15(10(2)18-16(14)21)13(23)8-12(9-22)17-20-19-11(3)25-17/h5-7,12,22H,4,8-9H2,1-3H3/t12-/m0/s1
InChIKeyDLPBFCMMLRZKEC-LBPRGKRZSA-N
MW344.37 g/mol
LogP2.08
Rot. Bonds7

About (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

(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 (PubChem CID 147384263) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID147384263
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(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
SMILESCCOc1cccn2c(C(=O)C[C@@H](CO)c3nnc(C)o3)c(C)nc12
InChIInChI=1S/C17H20N4O4/c1-4-24-14-6-5-7-21-15(10(2)18-16(14)21)13(23)8-12(9-22)17-20-19-11(3)25-17/h5-7,12,22H,4,8-9H2,1-3H3/t12-/m0/s1
InChIKeyDLPBFCMMLRZKEC-LBPRGKRZSA-N
XLogP2.08
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 158228961
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482
2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
CID 159230015
(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
CID 159231447
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
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
(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride
CID 162214206
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one
CID 158763165

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOc1cccn2c(C(=O)C[C@@H](CO)c3nnc(C)o3)c(C)nc12.
What is the InChIKey of (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?
The InChIKey is DLPBFCMMLRZKEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-4-24-14-6-5-7-21-15(10(2)18-16(14)21)13(23)8-12(9-22)17-20-19-11(3)25-17/h5-7,12,22H,4,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 344.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 147384263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).