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

C22H16FN5O2 — CID 27372892

IUPAC2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)n1
InChIInChI=1S/C22H16FN5O2/c1-14-4-2-3-5-17(14)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)15-6-8-16(23)9-7-15/h2-12H,13H2,1H3
InChIKeyVUOLOMAMSSUXFD-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.71
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372892) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372892
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)n1
InChIInChI=1S/C22H16FN5O2/c1-14-4-2-3-5-17(14)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)15-6-8-16(23)9-7-15/h2-12H,13H2,1H3
InChIKeyVUOLOMAMSSUXFD-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 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372892) is 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VUOLOMAMSSUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c1-14-4-2-3-5-17(14)21-24-20(30-26-21)13-27-10-11-28-19(22(27)29)12-18(25-28)15-6-8-16(23)9-7-15/h2-12H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]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 2-(4-fluorophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).