General Information of the Compound
Compound ID
CP0489968
Compound Name
(4-chlorophenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
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Structure
Formula
C18H15ClN4O
Molecular Weight
338.798
Canonical SMILES
Clc1ccc(cc1)C(=O)N1CCn2nc(cc2C1)-c1ccccn1
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InChI
InChI=1S/C18H15ClN4O/c19-14-6-4-13(5-7-14)18(24)22-9-10-23-15(12-22)11-17(21-23)16-3-1-2-8-20-16/h1-8,11H,9-10,12H2
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InChIKey
RBCVHFCAIQTDOL-UHFFFAOYSA-N
Physicochemical Property
logP
3.2545
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
51.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 155523654
ChEMBL ID
CHEMBL4454697
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 = 9469 nM
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