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

C23H18FN5O2 — CID 53169791

IUPAC2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C)c(-c2cc3c(=O)n(Cc4noc(-c5ccc(F)cc5)n4)ccn3n2)c1
InChIInChI=1S/C23H18FN5O2/c1-14-3-4-15(2)18(11-14)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(31-27-21)16-5-7-17(24)8-6-16/h3-12H,13H2,1-2H3
InChIKeyCCCHBZGMVFIIDB-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.02
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53169791) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53169791
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C)c(-c2cc3c(=O)n(Cc4noc(-c5ccc(F)cc5)n4)ccn3n2)c1
InChIInChI=1S/C23H18FN5O2/c1-14-3-4-15(2)18(11-14)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(31-27-21)16-5-7-17(24)8-6-16/h3-12H,13H2,1-2H3
InChIKeyCCCHBZGMVFIIDB-UHFFFAOYSA-N
XLogP4.02
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53169791) is 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C)c(-c2cc3c(=O)n(Cc4noc(-c5ccc(F)cc5)n4)ccn3n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CCCHBZGMVFIIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-14-3-4-15(2)18(11-14)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(31-27-21)16-5-7-17(24)8-6-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 415.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53169791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).