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

C25H17N5O2 — CID 53076279

IUPAC2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C25H17N5O2/c31-25-22-15-21(20-12-6-10-17-7-4-5-11-19(17)20)27-30(22)14-13-29(25)16-23-26-24(28-32-23)18-8-2-1-3-9-18/h1-15H,16H2
InChIKeyMTJMOCMHPPAUTM-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.41
Rot. Bonds4

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

2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53076279) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53076279
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C25H17N5O2/c31-25-22-15-21(20-12-6-10-17-7-4-5-11-19(17)20)27-30(22)14-13-29(25)16-23-26-24(28-32-23)18-8-2-1-3-9-18/h1-15H,16H2
InChIKeyMTJMOCMHPPAUTM-UHFFFAOYSA-N
XLogP4.41
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53076279) is 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MTJMOCMHPPAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c31-25-22-15-21(20-12-6-10-17-7-4-5-11-19(17)20)27-30(22)14-13-29(25)16-23-26-24(28-32-23)18-8-2-1-3-9-18/h1-15H,16H2.
What are the key properties of 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 419.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53076279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).