General Information of the Compound
Compound ID
CP0465966
Compound Name
ethyl 1-ethyl-4-(2-methylpropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
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Structure
Formula
C15H22N4O2
Molecular Weight
290.367
Canonical SMILES
CCOC(=O)c1cnc2n(CC)ncc2c1NCC(C)C
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InChI
InChI=1S/C15H22N4O2/c1-5-19-14-11(9-18-19)13(16-7-10(3)4)12(8-17-14)15(20)21-6-2/h8-10H,5-7H2,1-4H3,(H,16,17)
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InChIKey
DBIAHENBAPKNLQ-UHFFFAOYSA-N
CAS
34966-24-0
Physicochemical Property
logP
2.6958
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 314892
ChEMBL ID
CHEMBL519588
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15.85 nM
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