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

C22H16FN5O2 — CID 27372876

IUPAC5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1
InChIInChI=1S/C22H16FN5O2/c1-14-2-4-15(5-3-14)18-12-19-22(29)27(10-11-28(19)25-18)13-20-24-21(26-30-20)16-6-8-17(23)9-7-16/h2-12H,13H2,1H3
InChIKeySYDAKBVMASBFSU-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.71
Rot. Bonds4

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

5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372876) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372876
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1
InChIInChI=1S/C22H16FN5O2/c1-14-2-4-15(5-3-14)18-12-19-22(29)27(10-11-28(19)25-18)13-20-24-21(26-30-20)16-6-8-17(23)9-7-16/h2-12H,13H2,1H3
InChIKeySYDAKBVMASBFSU-UHFFFAOYSA-N
XLogP3.71
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372876) is 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SYDAKBVMASBFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c1-14-2-4-15(5-3-14)18-12-19-22(29)27(10-11-28(19)25-18)13-20-24-21(26-30-20)16-6-8-17(23)9-7-16/h2-12H,13H2,1H3.
What are the key properties of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 401.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).