General Information of the Compound
Compound ID
CP0331689
Compound Name
N-[4-(4-methylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C17H25N5O
Molecular Weight
315.421
Canonical SMILES
CN1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
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InChI
InChI=1S/C17H25N5O/c1-20-10-12-21(13-11-20)8-5-3-7-18-17(23)15-14-22-9-4-2-6-16(22)19-15/h2,4,6,9,14H,3,5,7-8,10-13H2,1H3,(H,18,23)
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InChIKey
CUYPAJMAKROKHW-UHFFFAOYSA-N
Physicochemical Property
logP
1.0917
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
52.88
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: 53524618
ChEMBL ID
CHEMBL4173260
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS