General Information of the Compound
Compound ID
CP0207084
Compound Name
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide
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Structure
Formula
C22H18FN5O
Molecular Weight
387.418
Canonical SMILES
Cc1c(nc2ccc(NC(=O)c3ncc(cn3)-c3ccc(F)cc3)cn12)C1CC1
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InChI
InChI=1S/C22H18FN5O/c1-13-20(15-2-3-15)27-19-9-8-18(12-28(13)19)26-22(29)21-24-10-16(11-25-21)14-4-6-17(23)7-5-14/h4-12,15H,2-3H2,1H3,(H,26,29)
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InChIKey
KHBSSGREAISYNW-UHFFFAOYSA-N
Physicochemical Property
logP
4.36852
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
72.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 23120575
ChEMBL ID
CHEMBL558826
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.8 nM