General Information of the Compound
Compound ID
CP0528256
Compound Name
N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
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Structure
Formula
C19H27N5O2
Molecular Weight
357.458
Canonical SMILES
CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)NC1CCCC1
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InChI
InChI=1S/C19H27N5O2/c1-2-24-18-15(12-21-24)17(22-14-7-9-26-10-8-14)16(11-20-18)19(25)23-13-5-3-4-6-13/h11-14H,2-10H2,1H3,(H,20,22)(H,23,25)
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InChIKey
ZLEDFOJPRPLJAJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7145
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
81.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 44561089
ChEMBL ID
CHEMBL488632
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 = 50.12 nM
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