General Information of the Compound
Compound ID
CP0298087
Compound Name
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C23H26N6O
Molecular Weight
402.502
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2ncc(cc2o1)-c1cccc2ccnn12
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InChI
InChI=1S/C23H26N6O/c1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20/h4-7,10,15-16,18H,1-3,8-9,11-14H2
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InChIKey
NUJOTGYKFPUQJP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9922
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
62.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 57327814
SID: 136329929
ChEMBL ID
CHEMBL1958177
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4 nM
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