General Information of the Compound
Compound ID
CP0443591
Compound Name
N-pyridin-2-yl-1H-pyrazole-5-carboxamide
    Show/Hide
Structure
Formula
C9H8N4O
Molecular Weight
188.19
Canonical SMILES
O=C(Nc1ccccn1)c1cc[nH]n1
    Show/Hide
InChI
InChI=1S/C9H8N4O/c14-9(7-4-6-11-13-7)12-8-3-1-2-5-10-8/h1-6H,(H,11,13)(H,10,12,14)
    Show/Hide
InChIKey
LWQREALHEBNTEQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.057
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 66939548
ChEMBL ID
CHEMBL3604135
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: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1207 nM
   TI
   LI
   LO
   TS
CL000461 L-1236 Homo sapiens (Human)  1
1
IC50 = 3410 nM
   TI
   LI
   LO
   TS