General Information of the Compound
Compound ID
CP0420585
Compound Name
5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
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Structure
Formula
C19H15F2N3O2
Molecular Weight
355.344
Canonical SMILES
Fc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)c(F)c1
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InChI
InChI=1S/C19H15F2N3O2/c20-13-6-7-17(16(21)10-13)23-8-9-24-18(19(23)25)11-14(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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InChIKey
UBSLYLLGPZUUQE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4007
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 57411802
SID: 136958115
ChEMBL ID
CHEMBL3746540
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 100 nM
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