General Information of the Compound
Compound ID
CP0372262
Compound Name
8-Methoxy-1,3,4-trimethyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C13H14N4O
Molecular Weight
242.282
Canonical SMILES
COc1ccc2nc(C)c3c(C)nc(C)n3c2n1
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InChI
InChI=1S/C13H14N4O/c1-7-12-8(2)15-10-5-6-11(18-4)16-13(10)17(12)9(3)14-7/h5-6H,1-4H3
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InChIKey
BUSWFVPKVZTMNZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.21136
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 24802719
SID: 49748848
ChEMBL ID
CHEMBL1086107
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 = 81.2 nM
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