General Information of the Compound
Compound ID
CP0969159
Compound Name
5-methyl-6-morpholino-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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Formula
C22H27N5O2
Molecular Weight
393.491
Canonical SMILES
Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1N1CCOCC1
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InChI
InChI=1S/C22H27N5O2/c1-16-19(26-12-14-29-15-13-26)22(28)27-21(23-16)20(25-10-6-3-7-11-25)18(24-27)17-8-4-2-5-9-17/h2,4-5,8-9,23H,3,6-7,10-15H2,1H3
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InChIKey
YPWWJYHFLICEET-UHFFFAOYSA-N
Physicochemical Property
logP
2.82492
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
65.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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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ChEMBL ID
CHEMBL4561650
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: PT03001, S-adenosylmethionine synthase isoform type-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
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