2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid

C20H19BrN2O4 — CID 159230015

IUPAC2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
SMILESCCOc1cccn2c(C(=O)CC(C(=O)O)c3ccc(Br)cc3)c(C)nc12
InChIInChI=1S/C20H19BrN2O4/c1-3-27-17-5-4-10-23-18(12(2)22-19(17)23)16(24)11-15(20(25)26)13-6-8-14(21)9-7-13/h4-10,15H,3,11H2,1-2H3,(H,25,26)
InChIKeyKSTYPFJOVCVUKU-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.25
Rot. Bonds7

About 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid

2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid (PubChem CID 159230015) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
PubChem CID159230015
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
SMILESCCOc1cccn2c(C(=O)CC(C(=O)O)c3ccc(Br)cc3)c(C)nc12
InChIInChI=1S/C20H19BrN2O4/c1-3-27-17-5-4-10-23-18(12(2)22-19(17)23)16(24)11-15(20(25)26)13-6-8-14(21)9-7-13/h4-10,15H,3,11H2,1-2H3,(H,25,26)
InChIKeyKSTYPFJOVCVUKU-UHFFFAOYSA-N
XLogP4.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid 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

(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)-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)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
CID 159237758
(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
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
CID 160620966
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
(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 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid?
The IUPAC name of 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid (CID 159230015) is 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid is CCOc1cccn2c(C(=O)CC(C(=O)O)c3ccc(Br)cc3)c(C)nc12.
What is the InChIKey of 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid?
The InChIKey is KSTYPFJOVCVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-3-27-17-5-4-10-23-18(12(2)22-19(17)23)16(24)11-15(20(25)26)13-6-8-14(21)9-7-13/h4-10,15H,3,11H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid?
2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid has a molecular weight of 431.29 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 159230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).