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

C23H18FN5O4 — CID 27372929

IUPAC5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1
InChIInChI=1S/C23H18FN5O4/c1-31-17-9-15(10-18(11-17)32-2)22-25-21(33-27-22)13-28-7-8-29-20(23(28)30)12-19(26-29)14-3-5-16(24)6-4-14/h3-12H,13H2,1-2H3
InChIKeyZSEYLVWEZYHRSH-UHFFFAOYSA-N
MW447.43 g/mol
LogP3.42
Rot. Bonds6

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

5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372929) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372929
Molecular FormulaC23H18FN5O4
Molecular Weight447.43 g/mol
Exact Mass447.13
IUPAC Name5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1
InChIInChI=1S/C23H18FN5O4/c1-31-17-9-15(10-18(11-17)32-2)22-25-21(33-27-22)13-28-7-8-29-20(23(28)30)12-19(26-29)14-3-5-16(24)6-4-14/h3-12H,13H2,1-2H3
InChIKeyZSEYLVWEZYHRSH-UHFFFAOYSA-N
XLogP3.42
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372929) is 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1.
What is the InChIKey of 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZSEYLVWEZYHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4/c1-31-17-9-15(10-18(11-17)32-2)22-25-21(33-27-22)13-28-7-8-29-20(23(28)30)12-19(26-29)14-3-5-16(24)6-4-14/h3-12H,13H2,1-2H3.
What are the key properties of 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 447.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).