General Information of the Compound
Compound ID
CP0486594
Compound Name
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C20H28N4O
Molecular Weight
340.471
Canonical SMILES
CC(C)c1nc(C(=O)NC2CCN(CC3CC3)CC2)c2ccccn12
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InChI
InChI=1S/C20H28N4O/c1-14(2)19-22-18(17-5-3-4-10-24(17)19)20(25)21-16-8-11-23(12-9-16)13-15-6-7-15/h3-5,10,14-16H,6-9,11-13H2,1-2H3,(H,21,25)
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InChIKey
VKLMBXKZRXHBMS-UHFFFAOYSA-N
Physicochemical Property
logP
3.0619
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 127041786
ChEMBL ID
CHEMBL3739470
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 = 49 nM
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