General Information of the Compound
Compound ID
CP0346361
Compound Name
N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    Show/Hide
Structure
Formula
C19H18N6O
Molecular Weight
346.394
Canonical SMILES
Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2cccnc12
    Show/Hide
InChI
InChI=1S/C19H18N6O/c1-12-5-6-13(2)14(9-12)17-16(11-24(3)23-17)22-19(26)15-10-21-25-8-4-7-20-18(15)25/h4-11H,1-3H3,(H,22,26)
    Show/Hide
InChIKey
NFQKXDIBUBJLEU-UHFFFAOYSA-N
Physicochemical Property
logP
2.99894
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
77.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 66851426
SID: 163504244
ChEMBL ID
CHEMBL2178266
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
CL000128 TF-1 Homo sapiens (Human)  1
1
IC50 = 64.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.1 nM