General Information of the Compound
Compound ID
CP0516963
Compound Name
4-[2-methyl-3-(6-methylpyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C17H19N5O
Molecular Weight
309.373
Canonical SMILES
Cc1nc2c(nccn2c1-c1ccc(C)nc1)N1CCOCC1
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InChI
InChI=1S/C17H19N5O/c1-12-3-4-14(11-19-12)15-13(2)20-17-16(18-5-6-22(15)17)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3
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InChIKey
MJNKWEKYYDCPIA-UHFFFAOYSA-N
Physicochemical Property
logP
2.24474
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
55.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 67425876
ChEMBL ID
CHEMBL3394350
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 = 309.03 nM
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