General Information of the Compound
Compound ID
CP0469612
Compound Name
2-(1-propan-2-ylpiperidin-4-yl)-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
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Structure
Formula
C20H27N5O
Molecular Weight
353.47
Canonical SMILES
CC(C)N1CCC(CC1)c1nnc(o1)-c1cccc2cc(nn12)C(C)C
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InChI
InChI=1S/C20H27N5O/c1-13(2)17-12-16-6-5-7-18(25(16)23-17)20-22-21-19(26-20)15-8-10-24(11-9-15)14(3)4/h5-7,12-15H,8-11H2,1-4H3
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InChIKey
AHDPHZHUFJVOFR-UHFFFAOYSA-N
Physicochemical Property
logP
4.0955
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
59.46
Hydrogen Bond Donor Count
0
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: 145975297
ChEMBL ID
CHEMBL4203494
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 54 nM
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