General Information of the Compound
Compound ID
CP0152026
Compound Name
6-(4-fluoro-2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
    Show/Hide
Structure
Formula
C15H13FN4
Molecular Weight
268.295
Canonical SMILES
Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1
    Show/Hide
InChI
InChI=1S/C15H13FN4/c16-12-2-3-13(14(9-12)20-6-1-4-18-20)11-8-15-17-5-7-19(15)10-11/h1-7,9,11H,8,10H2
    Show/Hide
InChIKey
PUGMNVJZHKJJKF-UHFFFAOYSA-N
Physicochemical Property
logP
2.5478
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
35.64
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44574138
ChEMBL ID
CHEMBL466635
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 27 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 4100 nM
   TI
   LI
   LO
   TS