ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid

C20H24FNO6 — CID 146424705

IUPACethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC
InChIInChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3
InChIKeyKQGJJANWFZCVGN-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.54
Rot. Bonds6

About ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid

ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid (PubChem CID 146424705) has the molecular formula C20H24FNO6 and a molecular weight of 393.41 g/mol. Its IUPAC name is ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Nameethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
PubChem CID146424705
Molecular FormulaC20H24FNO6
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Nameethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC
InChIInChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3
InChIKeyKQGJJANWFZCVGN-UHFFFAOYSA-N
XLogP3.54
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic 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

2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 141307427
5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
CID 144877120
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774
5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
CID 90283696
3-(4-fluorophenyl)-1-(1-methylazetidin-3-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 146425707
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 159107540
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione
CID 146432667
methyl 1-(4-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate
CID 102252860
6-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 151618895

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The IUPAC name of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid (CID 146424705) is ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid.
What is the SMILES notation for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The canonical SMILES for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid is CC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC.
What is the InChIKey of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The InChIKey is KQGJJANWFZCVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid has a molecular weight of 393.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 146424705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).