General Information of the Compound
Compound ID
CP0493547
Compound Name
1-Hexyl-8-methoxy-3,4-dimethyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C18H24N4O
Molecular Weight
312.417
Canonical SMILES
CCCCCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C18H24N4O/c1-5-6-7-8-9-15-20-13(3)17-12(2)19-14-10-11-16(23-4)21-18(14)22(15)17/h10-11H,5-9H2,1-4H3
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InChIKey
LGTUNVZAXPGQEP-UHFFFAOYSA-N
Physicochemical Property
logP
4.02574
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 24802884
SID: 49749019
ChEMBL ID
CHEMBL1085151
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 223 nM
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