General Information of the Compound
Compound ID
CP0443260
Compound Name
2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
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Synonyms
PMID27607364-Compound-116
Pyrazolopyrimidine acetamide analog 1
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Structure
Formula
C21H26N4O2
Molecular Weight
366.465
Canonical SMILES
CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
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InChI
InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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InChIKey
ILZWUAWCTNWSFZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.43264
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
59.73
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).

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PubChem ID
CID: 11595759
SID: 16698407
ChEMBL ID
CHEMBL480041
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000552 T98G Homo sapiens (Human)  1
1
Ki = 6.68 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  3
1
Ki = 8.2 nM
   TI
   LI
   LO
   TS
2
Ki = 19.5 nM
   TI
   LI
   LO
   TS
3
Ki = 98.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 98.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pyrazolopyrimidine acetamide analog 1 )
Drug Name Pyrazolopyrimidine acetamide analog 1
Target(s)
Translocator protein (TSPO)
Ligand