General Information of the Compound
Compound ID
CP0540782
Compound Name
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C19H28N4O
Molecular Weight
328.46
Canonical SMILES
CC(C)N1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
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InChI
InChI=1S/C19H28N4O/c1-13(2)18-21-17(16-7-5-6-10-23(16)18)19(24)20-15-8-11-22(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,20,24)
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InChIKey
NYLMCZPRGYKYHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0603
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 127041783
ChEMBL ID
CHEMBL3739521
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 = 3.4 nM
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