5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one

C19H21F2NO6S — CID 149232899

IUPAC5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(CC[C@](C)(C(=O)CO)S(C)(=O)=O)cc2F)c(F)c1
InChIInChI=1S/C19H21F2NO6S/c1-19(17(24)11-23,29(3,26)27)6-7-22-10-16(21)14(9-18(22)25)13-5-4-12(28-2)8-15(13)20/h4-5,8-10,23H,6-7,11H2,1-3H3/t19-/m1/s1
InChIKeyXKQNYCBAEJVYJV-LJQANCHMSA-N
MW429.44 g/mol
LogP1.56
Rot. Bonds8

About 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one

5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one (PubChem CID 149232899) has the molecular formula C19H21F2NO6S and a molecular weight of 429.44 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one
PubChem CID149232899
Molecular FormulaC19H21F2NO6S
Molecular Weight429.44 g/mol
Exact Mass429.11
IUPAC Name5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(CC[C@](C)(C(=O)CO)S(C)(=O)=O)cc2F)c(F)c1
InChIInChI=1S/C19H21F2NO6S/c1-19(17(24)11-23,29(3,26)27)6-7-22-10-16(21)14(9-18(22)25)13-5-4-12(28-2)8-15(13)20/h4-5,8-10,23H,6-7,11H2,1-3H3/t19-/m1/s1
InChIKeyXKQNYCBAEJVYJV-LJQANCHMSA-N
XLogP1.56
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bis(diethylazanium);[[(2R)-4-[5-fluoro-4-(2-fluoro-4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanoyl]amino]oxy-methylphosphinic acid;[[(2R)-4-[5-fluoro-4-(2-fluoro-4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanoyl]amino] phosphate
CID 160532162
(2R)-4-[5-fluoro-2-oxo-4-[4-(trideuteriomethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880231
4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880187
5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one
CID 151907638
(2R)-4-[6-(2-fluoro-4-methoxyphenyl)-1-oxoisoquinolin-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217838
4-[5-fluoro-4-[4-(1,2-oxazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880105
(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880289
(2R)-4-[5-(2-fluoro-4-methoxyphenyl)indazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 118174860
(2S)-4-[4-fluoro-6-(4-methoxyphenyl)-1-oxoisoquinolin-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 158571263
4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
CID 88887215
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116127
7-(4-ethoxyphenyl)-3-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]quinazolin-4-one
CID 148650979

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one?
The IUPAC name of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one (CID 149232899) is 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one is COc1ccc(-c2cc(=O)n(CC[C@](C)(C(=O)CO)S(C)(=O)=O)cc2F)c(F)c1.
What is the InChIKey of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one?
The InChIKey is XKQNYCBAEJVYJV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21F2NO6S/c1-19(17(24)11-23,29(3,26)27)6-7-22-10-16(21)14(9-18(22)25)13-5-4-12(28-2)8-15(13)20/h4-5,8-10,23H,6-7,11H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one?
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one has a molecular weight of 429.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one is sourced from PubChem (CID 149232899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).