General Information of the Compound
Compound ID
CP0546582
Compound Name
7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C15H15N5O2
Molecular Weight
297.318
Canonical SMILES
COc1cccc(Nc2c(cnc3c(C)cnn23)C(N)=O)c1
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InChI
InChI=1S/C15H15N5O2/c1-9-7-18-20-14(9)17-8-12(13(16)21)15(20)19-10-4-3-5-11(6-10)22-2/h3-8,19H,1-2H3,(H2,16,21)
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InChIKey
UVIPZDMLXGFTOC-UHFFFAOYSA-N
Physicochemical Property
logP
1.88882
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
94.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 127039587
ChEMBL ID
CHEMBL3747655
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 165 nM
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