General Information of the Compound
Compound ID
CP0509251
Compound Name
8-Methoxy-4-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C14H16N4O
Molecular Weight
256.309
Canonical SMILES
CCCc1ncc2c(C)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C14H16N4O/c1-4-5-12-15-8-11-9(2)16-10-6-7-13(19-3)17-14(10)18(11)12/h6-8H,4-5H2,1-3H3
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InChIKey
TVANSZJGSTWTLC-UHFFFAOYSA-N
Physicochemical Property
logP
2.54702
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 24803050
SID: 49749190
ChEMBL ID
CHEMBL1086111
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 = 25.1 nM
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