General Information of the Compound
Compound ID
CP0538432
Compound Name
[2-(6-methylpyridin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
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Structure
Formula
C19H18N4O
Molecular Weight
318.38
Canonical SMILES
Cc1cccc(n1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
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InChI
InChI=1S/C19H18N4O/c1-14-6-5-9-17(20-14)18-12-16-13-22(10-11-23(16)21-18)19(24)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3
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InChIKey
MCQYIOQXKRUVCB-UHFFFAOYSA-N
Physicochemical Property
logP
2.90952
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: 155558779
ChEMBL ID
CHEMBL4562313
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 = 568 nM
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