General Information of the Compound
Compound ID
CP0571680
Compound Name
N-[1-(4-fluorophenyl)ethyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C20H18FN5
Molecular Weight
347.397
Canonical SMILES
CC(Nc1cc(C)nc2c(cnn12)-c1ccccn1)c1ccc(F)cc1
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InChI
InChI=1S/C20H18FN5/c1-13-11-19(25-14(2)15-6-8-16(21)9-7-15)26-20(24-13)17(12-23-26)18-5-3-4-10-22-18/h3-12,14,25H,1-2H3
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InChIKey
KDLJLCJWRSXODQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.41192
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
55.11
Hydrogen Bond Donor Count
1
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: 168272604
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: PT03123, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 27100 nM
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