General Information of the Compound
Compound ID
CP0539033
Compound Name
6-cyclopropyl-N-[1-(4-methoxyphenyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
CCC(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(OC)cc1
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InChI
InChI=1S/C20H22N4O2/c1-3-18(14-6-8-16(26-2)9-7-14)23-20(25)17-11-22-24-12-15(13-4-5-13)10-21-19(17)24/h6-13,18H,3-5H2,1-2H3,(H,23,25)
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InChIKey
YIZVLPNASGZEPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.4964
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 137636707
ChEMBL ID
CHEMBL4064136
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 = 1000 nM
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