General Information of the Compound
Compound ID
CP0060511
Compound Name
4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C16H20N6O2
Molecular Weight
328.376
Canonical SMILES
COCCn1cc(cn1)-c1cnc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C16H20N6O2/c1-23-7-6-21-12-13(10-19-21)14-11-18-16-15(17-2-3-22(14)16)20-4-8-24-9-5-20/h2-3,10-12H,4-9H2,1H3
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InChIKey
BKZYWKFEJFIZRM-UHFFFAOYSA-N
Physicochemical Property
logP
1.0758
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
69.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 67426178
ChEMBL ID
CHEMBL3262029
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 = 1000 nM
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