General Information of the Compound
Compound ID
CP0407003
Compound Name
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
    Show/Hide
Structure
Formula
C20H29FN4O
Molecular Weight
360.477
Canonical SMILES
CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccn12
    Show/Hide
InChI
InChI=1S/C20H29FN4O/c1-14(2)18-23-17(16-7-5-6-10-25(16)18)19(26)22-15-8-11-24(12-9-15)13-20(3,4)21/h5-7,10,14-15H,8-9,11-13H2,1-4H3,(H,22,26)
    Show/Hide
InChIKey
QDOZAVATYPZZCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127039507
ChEMBL ID
CHEMBL3742086
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 = 132 nM
   TI
   LI
   LO
   TS