5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C15H12F4N4O2S — CID 90241465

IUPAC5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(F)c(-n2cnc3c(cnn3C)c2=O)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H12F4N4O2S/c1-8-3-10(16)11(4-12(8)26(25)6-15(17,18)19)23-7-20-13-9(14(23)24)5-21-22(13)2/h3-5,7H,6H2,1-2H3
InChIKeyGFVIZMLQIMDWIK-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.24
Rot. Bonds3

About 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 90241465) has the molecular formula C15H12F4N4O2S and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID90241465
Molecular FormulaC15H12F4N4O2S
Molecular Weight388.35 g/mol
Exact Mass388.06
IUPAC Name5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(F)c(-n2cnc3c(cnn3C)c2=O)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H12F4N4O2S/c1-8-3-10(16)11(4-12(8)26(25)6-15(17,18)19)23-7-20-13-9(14(23)24)5-21-22(13)2/h3-5,7H,6H2,1-2H3
InChIKeyGFVIZMLQIMDWIK-UHFFFAOYSA-N
XLogP2.24
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(3-Fluorophenyl)methylsulfanyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258961
6-[(3-Fluorophenyl)sulfanylmethyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259874
5-(2-Fluorophenyl)-6-[(3-fluorophenyl)methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 132260347
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 24246241
1-Tert-butyl-5-[[2-(trifluoromethylsulfanyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 53314942
5-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 90242012
5-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 90242161
3-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-7-methylpyrazolo[3,4-d]triazin-4-one
CID 90242206
5-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 90242215
5-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 90242232
3-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-7-methylpyrazolo[3,4-d]triazin-4-one
CID 90242240
5-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 90242280

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 90241465) is 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(F)c(-n2cnc3c(cnn3C)c2=O)cc1S(=O)CC(F)(F)F.
What is the InChIKey of 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GFVIZMLQIMDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O2S/c1-8-3-10(16)11(4-12(8)26(25)6-15(17,18)19)23-7-20-13-9(14(23)24)5-21-22(13)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 388.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 90241465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).