General Information of the Compound
Compound ID
CP0538265
Compound Name
N-[5-(6-methoxypyridin-3-yl)-2-(4-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C23H19N7O2
Molecular Weight
425.452
Canonical SMILES
COc1ccc(cn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
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InChI
InChI=1S/C23H19N7O2/c1-15-4-7-17(8-5-15)30-20(12-19(28-30)16-6-9-21(32-2)25-13-16)27-23(31)18-14-26-29-11-3-10-24-22(18)29/h3-14H,1-2H3,(H,27,31)
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InChIKey
UUJNDOLXMBMKNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.54632
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
99.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 68328520
ChEMBL ID
CHEMBL3586489
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: PT00821, Interleukin-1 receptor-associated kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 310 nM
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