General Information of the Compound
Compound ID
CP0462774
Compound Name
N-[(4-cyclobutylmorpholin-2-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C20H28N4O2
Molecular Weight
356.47
Canonical SMILES
CC(C)c1nc(C(=O)NCC2CN(CCO2)C2CCC2)c2ccccn12
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InChI
InChI=1S/C20H28N4O2/c1-14(2)19-22-18(17-8-3-4-9-24(17)19)20(25)21-12-16-13-23(10-11-26-16)15-6-5-7-15/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3,(H,21,25)
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InChIKey
FIHPZTYJVXVUII-UHFFFAOYSA-N
Physicochemical Property
logP
2.4408
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 127039819
ChEMBL ID
CHEMBL3742300
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 = 2247 nM
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