General Information of the Compound
Compound ID
CP0564779
Compound Name
N-[1-(4-methoxyphenyl)propyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
CCC(N(C)C(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1
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InChI
InChI=1S/C19H22N4O2/c1-5-17(14-6-8-15(25-4)9-7-14)22(3)19(24)16-11-21-23-12-13(2)10-20-18(16)23/h6-12,17H,5H2,1-4H3
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InChIKey
XAMWMZAKWJIJBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.26962
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
59.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 137652023
ChEMBL ID
CHEMBL4074901
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: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
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