General Information of the Compound
Compound ID
CP0382733
Compound Name
3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile
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Structure
Formula
C17H19N7O2
Molecular Weight
353.386
Canonical SMILES
COCCn1cc(cn1)-c1c(nc2c(nccn12)N1CCOCC1)C#N
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InChI
InChI=1S/C17H19N7O2/c1-25-7-6-23-12-13(11-20-23)15-14(10-18)21-17-16(19-2-3-24(15)17)22-4-8-26-9-5-22/h2-3,11-12H,4-9H2,1H3
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InChIKey
IJGYQMOIFMTHDI-UHFFFAOYSA-N
Physicochemical Property
logP
0.94748
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
93.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
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: 67424911
ChEMBL ID
CHEMBL3262032
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 = 85.11 nM
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