3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one

C19H16ClF2N3O4 — CID 22050963

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)CCO)c1
InChIInChI=1S/C19H16ClF2N3O4/c1-11-6-16(29-10-12-2-3-13(21)7-15(12)22)18(20)19(28)25(11)14-8-23-24(9-14)17(27)4-5-26/h2-3,6-9,26H,4-5,10H2,1H3
InChIKeyMOZWEOVJEUWMBB-UHFFFAOYSA-N
MW423.80 g/mol
LogP2.88
Rot. Bonds6

About 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one

3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one (PubChem CID 22050963) has the molecular formula C19H16ClF2N3O4 and a molecular weight of 423.80 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
PubChem CID22050963
Molecular FormulaC19H16ClF2N3O4
Molecular Weight423.80 g/mol
Exact Mass423.08
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)CCO)c1
InChIInChI=1S/C19H16ClF2N3O4/c1-11-6-16(29-10-12-2-3-13(21)7-15(12)22)18(20)19(28)25(11)14-8-23-24(9-14)17(27)4-5-26/h2-3,6-9,26H,4-5,10H2,1H3
InChIKeyMOZWEOVJEUWMBB-UHFFFAOYSA-N
XLogP2.88
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one
CID 21089871
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[3-(2-hydroxy-2-methylpropanoyl)-1-(3-hydroxypropanoyl)-2H-benzimidazol-5-yl]-6-methylpyridin-2-one
CID 22050498
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22049967
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]-6-methylpyridin-2-one
CID 22050064
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-methylpyridin-2-one
CID 22050817
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
CID 22050902
1-[4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]pyrazol-1-yl]-2-hydroxyethanone
CID 141127732
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 142275038
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
CID 22050076

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one (CID 22050963) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)CCO)c1.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one?
The InChIKey is MOZWEOVJEUWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O4/c1-11-6-16(29-10-12-2-3-13(21)7-15(12)22)18(20)19(28)25(11)14-8-23-24(9-14)17(27)4-5-26/h2-3,6-9,26H,4-5,10H2,1H3.
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one has a molecular weight of 423.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one is sourced from PubChem (CID 22050963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).