General Information of the Compound
Compound ID
CP0564044
Compound Name
6-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C16H16N4O
Molecular Weight
280.331
Canonical SMILES
CC(NC(=O)c1cnn2cc(C)cnc12)c1ccccc1
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InChI
InChI=1S/C16H16N4O/c1-11-8-17-15-14(9-18-20(15)10-11)16(21)19-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,21)
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InChIKey
NWEHAJQUFMJMAZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.52872
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 137660089
ChEMBL ID
CHEMBL4101192
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 = 28000 nM
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