General Information of the Compound
Compound ID
CP0549711
Compound Name
4-[2-methyl-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C20H21N7O
Molecular Weight
375.436
Canonical SMILES
Cc1nc2c(nccn2c1-c1cnn(Cc2ccncc2)c1)N1CCOCC1
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InChI
InChI=1S/C20H21N7O/c1-15-18(17-12-23-26(14-17)13-16-2-4-21-5-3-16)27-7-6-22-19(20(27)24-15)25-8-10-28-11-9-25/h2-7,12,14H,8-11,13H2,1H3
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InChIKey
MYGDMTAGMBHPNC-UHFFFAOYSA-N
Physicochemical Property
logP
2.18112
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
73.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 71138986
ChEMBL ID
CHEMBL3262041
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 = 102.33 nM
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