General Information of the Compound
Compound ID
CP0508481
Compound Name
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
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Structure
Formula
C19H24N6O
Molecular Weight
352.442
Canonical SMILES
CC(C)Nc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C19H24N6O/c1-13(2)22-16-5-4-15(12-21-16)17-14(3)23-19-18(20-6-7-25(17)19)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
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InChIKey
KNLIZDBKXGZPTF-UHFFFAOYSA-N
Physicochemical Property
logP
2.75662
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
67.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 67413560
ChEMBL ID
CHEMBL3394358
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 = 125.89 nM
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