General Information of the Compound
Compound ID
CP0569023
Compound Name
1-benzyl-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
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Structure
Formula
C18H21N5
Molecular Weight
307.401
Canonical SMILES
Cc1nc2c(nccc2n1Cc1ccccc1)N1CCNCC1
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InChI
InChI=1S/C18H21N5/c1-14-21-17-16(23(14)13-15-5-3-2-4-6-15)7-8-20-18(17)22-11-9-19-10-12-22/h2-8,19H,9-13H2,1H3
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InChIKey
FWFJKOHZBSFZKV-UHFFFAOYSA-N
Physicochemical Property
logP
2.19762
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
45.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 145971739
ChEMBL ID
CHEMBL4176992
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 374 nM
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