General Information of the Compound
Compound ID
CP0465675
Compound Name
5-(5-phenyl-1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-c]pyrazole
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Structure
Formula
C19H15N7
Molecular Weight
341.378
Canonical SMILES
C(c1ccncc1)n1ncc2[nH]c(nc12)-c1c[nH]nc1-c1ccccc1
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InChI
InChI=1S/C19H15N7/c1-2-4-14(5-3-1)17-15(10-21-25-17)18-23-16-11-22-26(19(16)24-18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,21,25)(H,23,24)
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InChIKey
UPEJLUMQANWQNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.2598
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
88.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 136046754
ChEMBL ID
CHEMBL4756829
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: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 24547.09 nM
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