General Information of the Compound
Compound ID
CP0399596
Compound Name
5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carbonitrile
    Show/Hide
Structure
Formula
C16H11FN4
Molecular Weight
278.29
Canonical SMILES
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)C#N
    Show/Hide
InChI
InChI=1S/C16H11FN4/c17-13-3-4-14-20-15(12-5-10(6-18)7-19-8-12)16(11-1-2-11)21(14)9-13/h3-5,7-9,11H,1-2H2
    Show/Hide
InChIKey
VCQWUPYAGDLXLT-UHFFFAOYSA-N
Physicochemical Property
logP
3.28448
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
53.98
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 89471891
ChEMBL ID
CHEMBL3921629
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 8700 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 160 nM
   TI
   LI
   LO
   TS