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

C22H21F2N3O3Si — CID 123570183

IUPAC5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
SMILESCC[Si](C)(O)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cncn23)c1
InChIInChI=1S/C22H21F2N3O3Si/c1-4-31(3,29)15-6-8-20(30-21-7-5-14(23)9-17(21)24)16(10-15)19-12-26(2)22(28)18-11-25-13-27(18)19/h5-13,29H,4H2,1-3H3
InChIKeyIXLHFMZKCSUDGZ-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.57
Rot. Bonds5

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

5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 123570183) has the molecular formula C22H21F2N3O3Si and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID123570183
Molecular FormulaC22H21F2N3O3Si
Molecular Weight441.51 g/mol
Exact Mass441.13
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
SMILESCC[Si](C)(O)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cncn23)c1
InChIInChI=1S/C22H21F2N3O3Si/c1-4-31(3,29)15-6-8-20(30-21-7-5-14(23)9-17(21)24)16(10-15)19-12-26(2)22(28)18-11-25-13-27(18)19/h5-13,29H,4H2,1-3H3
InChIKeyIXLHFMZKCSUDGZ-UHFFFAOYSA-N
XLogP3.57
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methyl-λ4-sulfanyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 163814234
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-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 118027859
8-[2-(2,4-difluorophenoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
CID 123982512
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-[ethyl(methyl)amino]-1,4-dimethylpyridin-2-one
CID 142346200
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-3-fluoro-1-methylpyridin-2-one
CID 123323276
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
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-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
CID 134495337

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one (CID 123570183) is 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one is CC[Si](C)(O)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cncn23)c1.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is IXLHFMZKCSUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3Si/c1-4-31(3,29)15-6-8-20(30-21-7-5-14(23)9-17(21)24)16(10-15)19-12-26(2)22(28)18-11-25-13-27(18)19/h5-13,29H,4H2,1-3H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one?
5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 441.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 123570183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).