General Information of the Compound
Compound ID
CP0385049
Compound Name
N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C22H34N4O2
Molecular Weight
386.54
Canonical SMILES
COCC(C)(C)CN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
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InChI
InChI=1S/C22H34N4O2/c1-16(2)20-24-19(18-8-6-7-11-26(18)20)21(27)23-17-9-12-25(13-10-17)14-22(3,4)15-28-5/h6-8,11,16-17H,9-10,12-15H2,1-5H3,(H,23,27)
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InChIKey
GIZMBBNMIPPKBE-UHFFFAOYSA-N
Physicochemical Property
logP
3.3245
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 127038354
ChEMBL ID
CHEMBL3739933
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 = 47 nM
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