(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid

C21H21FN2O4 — CID 158228961

IUPAC(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
SMILESCCOc1cccn2c(C(=O)C[C@@H](CC(=O)O)c3ccccc3F)c(C)nc12
InChIInChI=1S/C21H21FN2O4/c1-3-28-18-9-6-10-24-20(13(2)23-21(18)24)17(25)11-14(12-19(26)27)15-7-4-5-8-16(15)22/h4-10,14H,3,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1
InChIKeyGEDMFPVTIDSXKG-AWEZNQCLSA-N
MW384.41 g/mol
LogP4.01
Rot. Bonds8

About (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid

(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid (PubChem CID 158228961) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
PubChem CID158228961
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
SMILESCCOc1cccn2c(C(=O)C[C@@H](CC(=O)O)c3ccccc3F)c(C)nc12
InChIInChI=1S/C21H21FN2O4/c1-3-28-18-9-6-10-24-20(13(2)23-21(18)24)17(25)11-14(12-19(26)27)15-7-4-5-8-16(15)22/h4-10,14H,3,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1
InChIKeyGEDMFPVTIDSXKG-AWEZNQCLSA-N
XLogP4.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
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
(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
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one
CID 158763165
8-ethoxy-2-methyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090368
(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
CID 159231447

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid?
The IUPAC name of (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid (CID 158228961) is (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid?
The canonical SMILES for (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid is CCOc1cccn2c(C(=O)C[C@@H](CC(=O)O)c3ccccc3F)c(C)nc12.
What is the InChIKey of (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid?
The InChIKey is GEDMFPVTIDSXKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-3-28-18-9-6-10-24-20(13(2)23-21(18)24)17(25)11-14(12-19(26)27)15-7-4-5-8-16(15)22/h4-10,14H,3,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1.
What are the key properties of (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid?
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid has a molecular weight of 384.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 158228961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).