General Information of the Compound
Compound ID
CP0456332
Compound Name
3-cyclopropyl-N-neopentylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C16H21N3O
Molecular Weight
271.364
Canonical SMILES
CC(C)(C)CNC(=O)c1nc(C2CC2)n2ccccc12
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InChI
InChI=1S/C16H21N3O/c1-16(2,3)10-17-15(20)13-12-6-4-5-9-19(12)14(18-13)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20)
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InChIKey
STSBEGKZMMPSMP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9876
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
46.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 54580175
ChEMBL ID
CHEMBL1760937
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 21 nM
   TI
   LI
   LO
   TS