General Information of the Compound
Compound ID
CP0019682
Compound Name
2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo-[1,5-a]pyridine
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Structure
Formula
C18H12FN3
Molecular Weight
289.313
Canonical SMILES
Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
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InChI
InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H
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InChIKey
BUAIGJRXIAKFCN-UHFFFAOYSA-N
Physicochemical Property
logP
4.2024
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 9857146
SID: 14820278
ChEMBL ID
CHEMBL485745
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 6050 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 8900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 280 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 740 nM
   TI
   LI
   LO
   TS