General Information of the Compound
Compound ID
CP0510239
Compound Name
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methylpyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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Structure
Formula
C19H21N7
Molecular Weight
347.426
Canonical SMILES
CC(C)Cn1cc(cn1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
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InChI
InChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-21-25)17-5-4-6-18-23-19(24-26(17)18)22-16-7-8-20-14(3)9-16/h4-10,12-13H,11H2,1-3H3,(H,20,22,24)
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InChIKey
FBTAYMNEFQLEDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.69582
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
72.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 44555963
SID: 87239408
ChEMBL ID
CHEMBL2414532
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000224 SET-2 Homo sapiens (Human)  1
1
IC50 = 165 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2 nM