General Information of the Compound
Compound ID
CP0537668
Compound Name
(3-chlorophenyl)-[2-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
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Structure
Formula
C18H14ClFN4O
Molecular Weight
356.788
Canonical SMILES
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cccc(Cl)c1
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InChI
InChI=1S/C18H14ClFN4O/c19-13-3-1-2-12(8-13)18(25)23-6-7-24-15(11-23)9-17(22-24)16-5-4-14(20)10-21-16/h1-5,8-10H,6-7,11H2
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InChIKey
GICOGTDKLPJGSS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3936
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
51.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 140268012
ChEMBL ID
CHEMBL4465009
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
IC50 = 150 nM
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