General Information of the Compound
Compound ID
CP0567259
Compound Name
7-methoxy-N-[(1R)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
    Show/Hide
Structure
Formula
C19H19F3N4O5
Molecular Weight
440.378
Canonical SMILES
COC[C@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)cc1
    Show/Hide
InChI
InChI=1S/C19H19F3N4O5/c1-29-10-15(11-3-5-12(6-4-11)31-19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1
    Show/Hide
InChIKey
BEQCCXANGRRZOT-HNNXBMFYSA-N
Physicochemical Property
logP
2.8446
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
102.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 117949221
ChEMBL ID
CHEMBL4078053
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 = 39000 nM
   TI
   LI
   LO
   TS