General Information of the Compound
Compound ID
CP0079266
Compound Name
5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
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Structure
Formula
C16H14N4O2
Molecular Weight
294.314
Canonical SMILES
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1
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InChI
InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
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InChIKey
QJEBTCLOCMTSJU-UHFFFAOYSA-N
Physicochemical Property
logP
2.12132
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
79.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 25098135
SID: 56417743
ChEMBL ID
CHEMBL3145246
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: PT04036, Natural resistance-associated macrophage protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 640 nM
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