General Information of the Compound
Compound ID
CP0538431
Compound Name
(3-fluoro-5-methylphenyl)-[2-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
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Structure
Formula
C19H16F2N4O
Molecular Weight
354.36
Canonical SMILES
Cc1cc(F)cc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccc(F)cn1
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InChI
InChI=1S/C19H16F2N4O/c1-12-6-13(8-15(21)7-12)19(26)24-4-5-25-16(11-24)9-18(23-25)17-3-2-14(20)10-22-17/h2-3,6-10H,4-5,11H2,1H3
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InChIKey
NPNAYGNWJAHRCZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.18772
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
51.02
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: 155547194
ChEMBL ID
CHEMBL4533301
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 = 197 nM
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