General Information of the Compound
Compound ID
CP0398569
Compound Name
4-[3-[6-(2-methoxyethyl)pyridin-3-yl]-2,6-dimethylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C20H25N5O2
Molecular Weight
367.453
Canonical SMILES
COCCc1ccc(cn1)-c1c(C)nc2c(nc(C)cn12)N1CCOCC1
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InChI
InChI=1S/C20H25N5O2/c1-14-13-25-18(16-4-5-17(21-12-16)6-9-26-3)15(2)23-20(25)19(22-14)24-7-10-27-11-8-24/h4-5,12-13H,6-11H2,1-3H3
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InChIKey
ODOFQQLVQUYRLZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.43364
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
64.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 69942441
ChEMBL ID
CHEMBL3394367
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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 407.38 nM
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