General Information of the Compound
Compound ID
CP0337854
Compound Name
N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
    Show/Hide
Structure
Formula
C19H20N6O2
Molecular Weight
364.409
Canonical SMILES
COc1ccc2cnn(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c2c1
    Show/Hide
InChI
InChI=1S/C19H20N6O2/c1-19(2,3)24-18(26)13-9-20-17-16(13)23-15(10-21-17)25-14-7-12(27-4)6-5-11(14)8-22-25/h5-10H,1-4H3,(H,20,21)(H,24,26)
    Show/Hide
InChIKey
MUDBEIVJVOJXOK-UHFFFAOYSA-N
Physicochemical Property
logP
2.8337
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
97.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71279723
SID: 163619342
ChEMBL ID
CHEMBL2347997
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
IC50 = 129 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 33 nM