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

C23H17N5O4 — CID 45498884

IUPAC5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)ccn2n1
InChIInChI=1S/C23H17N5O4/c1-14-4-2-3-5-16(14)17-11-18-23(29)27(8-9-28(18)25-17)12-21-24-22(26-32-21)15-6-7-19-20(10-15)31-13-30-19/h2-11H,12-13H2,1H3
InChIKeyFZTGXXPCCXWNMN-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.30
Rot. Bonds4

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

5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 45498884) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID45498884
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC Name5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)ccn2n1
InChIInChI=1S/C23H17N5O4/c1-14-4-2-3-5-16(14)17-11-18-23(29)27(8-9-28(18)25-17)12-21-24-22(26-32-21)15-6-7-19-20(10-15)31-13-30-19/h2-11H,12-13H2,1H3
InChIKeyFZTGXXPCCXWNMN-UHFFFAOYSA-N
XLogP3.30
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 45498884) is 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)ccn2n1.
What is the InChIKey of 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FZTGXXPCCXWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c1-14-4-2-3-5-16(14)17-11-18-23(29)27(8-9-28(18)25-17)12-21-24-22(26-32-21)15-6-7-19-20(10-15)31-13-30-19/h2-11H,12-13H2,1H3.
What are the key properties of 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 427.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 45498884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).