5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one

C21H17F2N3O3S — CID 118027859

IUPAC5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2cc(CS(C)=O)ccc2Oc2ccc(F)cc2F)n2cncc2c1=O
InChIInChI=1S/C21H17F2N3O3S/c1-25-10-18(26-12-24-9-17(26)21(25)27)15-7-13(11-30(2)28)3-5-19(15)29-20-6-4-14(22)8-16(20)23/h3-10,12H,11H2,1-2H3
InChIKeyPYQGMESNASQGAY-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.65
Rot. Bonds5

About 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one

5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 118027859) has the molecular formula C21H17F2N3O3S and a molecular weight of 429.45 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID118027859
Molecular FormulaC21H17F2N3O3S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2cc(CS(C)=O)ccc2Oc2ccc(F)cc2F)n2cncc2c1=O
InChIInChI=1S/C21H17F2N3O3S/c1-25-10-18(26-12-24-9-17(26)21(25)27)15-7-13(11-30(2)28)3-5-19(15)29-20-6-4-14(22)8-16(20)23/h3-10,12H,11H2,1-2H3
InChIKeyPYQGMESNASQGAY-UHFFFAOYSA-N
XLogP3.65
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-3-fluoro-1-methylpyridin-2-one
CID 123323276
1-[4-(2,4-difluorophenoxy)-3-(7-methyl-8-oxoimidazo[1,5-a]pyrazin-5-yl)phenyl]propane-1-sulfinic acid
CID 135334621
5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 123570183
5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methyl-λ4-sulfanyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 163814234
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
CID 134495337
N-[5-(2,4-difluorophenoxy)-4-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)pyrimidin-2-yl]methanesulfinamide
CID 118027839
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]methanesulfinamide;hydrate
CID 162322586
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)phenyl]-5-methyl-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 153179462
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinoamino)ethyl]phenyl]-4-(4-formylthiophen-3-yl)-1-methyl-2-oxopyridine
CID 134495297
5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-[ethyl(methyl)amino]-1,4-dimethylpyridin-2-one
CID 142346200
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one (CID 118027859) is 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one is Cn1cc(-c2cc(CS(C)=O)ccc2Oc2ccc(F)cc2F)n2cncc2c1=O.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is PYQGMESNASQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3S/c1-25-10-18(26-12-24-9-17(26)21(25)27)15-7-13(11-30(2)28)3-5-19(15)29-20-6-4-14(22)8-16(20)23/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 429.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 118027859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).