General Information of the Compound
Compound ID
CP0535360
Compound Name
N-(1H-pyrazol-5-yl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C16H12N6O
Molecular Weight
304.313
Canonical SMILES
O=C(Nc1cc[nH]n1)c1cn2cc(ccc2n1)-c1ccccn1
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InChI
InChI=1S/C16H12N6O/c23-16(20-14-6-8-18-21-14)13-10-22-9-11(4-5-15(22)19-13)12-3-1-2-7-17-12/h1-10H,(H2,18,20,21,23)
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InChIKey
PKZAXPNFXCVYCX-UHFFFAOYSA-N
Physicochemical Property
logP
2.3717
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
87.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44125340
SID: 84977119
ChEMBL ID
CHEMBL4465777
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: PT06794, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000020 Neuro-2a Mus musculus (Mouse)  1
1
EC50 = 21 nM
   TI
   LI
   LO
   TS
Protein ID: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS