2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C22H16FN5O2S — CID 27372934

IUPAC2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c1-31-17-8-4-15(5-9-17)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)14-2-6-16(23)7-3-14/h2-12H,13H2,1H3
InChIKeyFJIVFQJCABMOGI-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372934) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372934
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC Name2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c1-31-17-8-4-15(5-9-17)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)14-2-6-16(23)7-3-14/h2-12H,13H2,1H3
InChIKeyFJIVFQJCABMOGI-UHFFFAOYSA-N
XLogP4.12
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162658526
2-(4-ethylphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372686
2-(4-fluorophenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372892
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372901
2-(4-fluorophenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372913
2-(4-fluorophenyl)-5-((3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 27372926
2-(thiophen-2-yl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373006
5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373009
2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372306
2-(4-ethylphenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372667
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372673
5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372682

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372934) is 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FJIVFQJCABMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c1-31-17-8-4-15(5-9-17)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)14-2-6-16(23)7-3-14/h2-12H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 433.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).