General Information of the Compound
Compound ID
CP0543031
Compound Name
N-[5-(benzylcarbamoyl)-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
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Structure
Formula
C23H20N4O2
Molecular Weight
384.439
Canonical SMILES
Cc1ccc(cc1NC(=O)c1cnn2ccccc12)C(=O)NCc1ccccc1
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InChI
InChI=1S/C23H20N4O2/c1-16-10-11-18(22(28)24-14-17-7-3-2-4-8-17)13-20(16)26-23(29)19-15-25-27-12-6-5-9-21(19)27/h2-13,15H,14H2,1H3,(H,24,28)(H,26,29)
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InChIKey
SYTCSPWJLDARIR-UHFFFAOYSA-N
Physicochemical Property
logP
3.82502
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
75.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 134135473
ChEMBL ID
CHEMBL3906976
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: PT05989, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 12 nM
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