General Information of the Compound
Compound ID
CP0370736
Compound Name
(7R)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-methyl-5-(4-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
    Show/Hide
Structure
Formula
C20H19FN4O2
Molecular Weight
366.396
Canonical SMILES
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(C)cc1
    Show/Hide
InChI
InChI=1S/C20H19FN4O2/c1-13-3-6-17(7-4-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-8-5-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
    Show/Hide
InChIKey
BPHWUMREZIPGSU-CQSZACIVSA-N
Physicochemical Property
logP
3.52602
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 122190396
ChEMBL ID
CHEMBL3617619
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS