General Information of the Compound
Compound ID
CP0419237
Compound Name
4-[3-(6-cyclopropylpyridin-3-yl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C19H21N5O
Molecular Weight
335.411
Canonical SMILES
Cc1nc2c(nccn2c1-c1ccc(nc1)C1CC1)N1CCOCC1
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InChI
InChI=1S/C19H21N5O/c1-13-17(15-4-5-16(21-12-15)14-2-3-14)24-7-6-20-18(19(24)22-13)23-8-10-25-11-9-23/h4-7,12,14H,2-3,8-11H2,1H3
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InChIKey
QKQFMPNMEODGNB-UHFFFAOYSA-N
Physicochemical Property
logP
2.81372
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
55.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 53380384
SID: 125302963
ChEMBL ID
CHEMBL3394355
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 = 338.84 nM
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