General Information of the Compound
Compound ID
CP0407004
Compound Name
N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C22H32N4O3
Molecular Weight
400.523
Canonical SMILES
CC(C)c1nc(C(=O)NC2CCN(CC3(O)CCOCC3)CC2)c2ccccn12
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InChI
InChI=1S/C22H32N4O3/c1-16(2)20-24-19(18-5-3-4-10-26(18)20)21(27)23-17-6-11-25(12-7-17)15-22(28)8-13-29-14-9-22/h3-5,10,16-17,28H,6-9,11-15H2,1-2H3,(H,23,27)
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InChIKey
ZYRFYKWOKBRNHT-UHFFFAOYSA-N
Physicochemical Property
logP
2.1934
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
79.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 127042086
ChEMBL ID
CHEMBL3740708
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 = 144 nM
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