2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid

C24H22FNO5 — CID 66669248

IUPAC2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid
SMILESCc1ccc(C(CC(=O)c2c[nH]c(=O)c(C)c2)c2ccc(OCC(=O)O)cc2F)cc1
InChIInChI=1S/C24H22FNO5/c1-14-3-5-16(6-4-14)20(11-22(27)17-9-15(2)24(30)26-12-17)19-8-7-18(10-21(19)25)31-13-23(28)29/h3-10,12,20H,11,13H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyOYTHJZDRQORFPT-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.00
Rot. Bonds8

About 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid

2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid (PubChem CID 66669248) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid
PubChem CID66669248
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid
SMILESCc1ccc(C(CC(=O)c2c[nH]c(=O)c(C)c2)c2ccc(OCC(=O)O)cc2F)cc1
InChIInChI=1S/C24H22FNO5/c1-14-3-5-16(6-4-14)20(11-22(27)17-9-15(2)24(30)26-12-17)19-8-7-18(10-21(19)25)31-13-23(28)29/h3-10,12,20H,11,13H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyOYTHJZDRQORFPT-UHFFFAOYSA-N
XLogP4.00
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid with MolForge

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Related Compounds

methyl 4-[1-(2-chlorophenyl)-3-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-oxopropyl]-2-fluorobenzoate
CID 66666422
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
3-(4-bromophenyl)-3-(2-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 66666257
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
2-[[3-(3-ethoxy-3-oxo-1-phenylpropyl)-1H-indol-6-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid
CID 22714548
2-[4-[1-[4-(carboxymethoxy)-2-methylphenyl]-2,2,2-trichloroethyl]-3-methylphenoxy]acetic acid
CID 10695332
ethane;2-(4-methylphenoxy)acetic acid;propan-1-amine
CID 170598336
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66666708
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 66666448

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid (CID 66669248) is 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid is Cc1ccc(C(CC(=O)c2c[nH]c(=O)c(C)c2)c2ccc(OCC(=O)O)cc2F)cc1.
What is the InChIKey of 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid?
The InChIKey is OYTHJZDRQORFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-14-3-5-16(6-4-14)20(11-22(27)17-9-15(2)24(30)26-12-17)19-8-7-18(10-21(19)25)31-13-23(28)29/h3-10,12,20H,11,13H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid?
2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid has a molecular weight of 423.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-(4-methylphenyl)-3-oxopropyl]phenoxy]acetic acid is sourced from PubChem (CID 66669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).