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

C23H18FN5O4 — CID 27372921

IUPAC5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c(OC)c1
InChIInChI=1S/C23H18FN5O4/c1-31-16-7-8-17(20(11-16)32-2)22-25-21(33-27-22)13-28-9-10-29-19(23(28)30)12-18(26-29)14-3-5-15(24)6-4-14/h3-12H,13H2,1-2H3
InChIKeyKKURGVBQGQVTJM-UHFFFAOYSA-N
MW447.43 g/mol
LogP3.42
Rot. Bonds6

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

5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372921) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372921
Molecular FormulaC23H18FN5O4
Molecular Weight447.43 g/mol
Exact Mass447.13
IUPAC Name5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c(OC)c1
InChIInChI=1S/C23H18FN5O4/c1-31-16-7-8-17(20(11-16)32-2)22-25-21(33-27-22)13-28-9-10-29-19(23(28)30)12-18(26-29)14-3-5-15(24)6-4-14/h3-12H,13H2,1-2H3
InChIKeyKKURGVBQGQVTJM-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

Analyze 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)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

Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}propan-1-one
CID 91905492
5-(2-Ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 25110168
2-(4-ethoxyphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372882
2-(4-ethoxyphenyl)-5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372883
5-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372905
5-{[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372929
6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 27374884
[5-[1-[(4-Methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637131
[5-[1-[(3,4,5-Trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637132
2-(4-butoxyphenyl)-5-((3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 49674384
1-benzyl-3-{4-[3-(dimethylamino)benzoyl]piperazin-1-yl}quinoxalin-2(1H)-one
CID 53018548
3-(4-Fluorophenyl)-5-[5-(4-methoxy-2-methylbenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018563

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372921) is 5-[[3-(2,4-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-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c(OC)c1.
What is the InChIKey of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KKURGVBQGQVTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4/c1-31-16-7-8-17(20(11-16)32-2)22-25-21(33-27-22)13-28-9-10-29-19(23(28)30)12-18(26-29)14-3-5-15(24)6-4-14/h3-12H,13H2,1-2H3.
What are the key properties of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(2,4-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-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).