General Information of the Compound
Compound ID
CP0454590
Compound Name
4,8-Dimethoxy-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C14H16N4O2
Molecular Weight
272.308
Canonical SMILES
CCCc1ncc2c(OC)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C14H16N4O2/c1-4-5-11-15-8-10-14(20-3)16-9-6-7-12(19-2)17-13(9)18(10)11/h6-8H,4-5H2,1-3H3
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InChIKey
CTPKVFHCCFZNDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2472
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
61.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 24804536
SID: 49750670
ChEMBL ID
CHEMBL1083163
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 = 92.2 nM
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