4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one

C17H19FN2O5S — CID 118028205

IUPAC4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
SMILESCn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyQVGXRQHXYGJCCA-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.14
Rot. Bonds6

About 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one

4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one (PubChem CID 118028205) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
PubChem CID118028205
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
SMILESCn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyQVGXRQHXYGJCCA-UHFFFAOYSA-N
XLogP1.14
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 134311541
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-fluoro-2-methylisoquinolin-1-one
CID 118022951
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 137330999
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015
5-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-1-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyridin-2-one
CID 178067329
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
CID 118028094
4-[3-(cyclopropylmethoxy)-6-ethylsulfonylpyridazin-4-yl]-2-methylisoquinolin-1-one
CID 118028159

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The IUPAC name of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one (CID 118028205) is 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one is Cn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O.
What is the InChIKey of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The InChIKey is QVGXRQHXYGJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one has a molecular weight of 382.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one is sourced from PubChem (CID 118028205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).