General Information of the Compound
Compound ID
CP0408134
Compound Name
6-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C16H13F3N4O2
Molecular Weight
350.3
Canonical SMILES
Cc1cnc2c(cnn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1
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InChI
InChI=1S/C16H13F3N4O2/c1-10-6-20-14-13(8-22-23(14)9-10)15(24)21-7-11-2-4-12(5-3-11)25-16(17,18)19/h2-6,8-9H,7H2,1H3,(H,21,24)
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InChIKey
DORAPXIDKKQEHF-UHFFFAOYSA-N
Physicochemical Property
logP
2.86632
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
68.52
Hydrogen Bond Donor Count
1
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: 137631473
ChEMBL ID
CHEMBL4068494
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 = 6100 nM
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