General Information of the Compound
Compound ID
CP0510665
Compound Name
6-chloro-N-[1-(4-methoxyphenyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C17H17ClN4O2
Molecular Weight
344.802
Canonical SMILES
CCC(NC(=O)c1cnn2cc(Cl)cnc12)c1ccc(OC)cc1
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InChI
InChI=1S/C17H17ClN4O2/c1-3-15(11-4-6-13(24-2)7-5-11)21-17(23)14-9-20-22-10-12(18)8-19-16(14)22/h4-10,15H,3H2,1-2H3,(H,21,23)
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InChIKey
HQMXRXDKESFKAQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2724
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 137646373
ChEMBL ID
CHEMBL4085701
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 = 1400 nM
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