General Information of the Compound
Compound ID
CP0482571
Compound Name
N-(2-methylpyridin-4-yl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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Structure
Formula
C19H17N5O2S
Molecular Weight
379.445
Canonical SMILES
Cc1cc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)ccn1
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InChI
InChI=1S/C19H17N5O2S/c1-13-11-15(9-10-20-13)21-19-22-18-8-4-7-17(24(18)23-19)14-5-3-6-16(12-14)27(2,25)26/h3-12H,1-2H3,(H,20,21,23)
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InChIKey
XZWSKIZJBIWMFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.24682
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
89.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 59186216
ChEMBL ID
CHEMBL2414555
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 = 446 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 19.3 nM