General Information of the Compound
Compound ID
CP0424561
Compound Name
5-[(3R)-3-aminopiperidin-1-yl]-N-(4-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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Formula
C17H21N7
Molecular Weight
323.404
Canonical SMILES
Cc1ccnc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c1
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InChI
InChI=1S/C17H21N7/c1-12-4-6-19-14(9-12)21-17-10-16(22-15-5-7-20-24(15)17)23-8-2-3-13(18)11-23/h4-7,9-10,13H,2-3,8,11,18H2,1H3,(H,19,21)/t13-/m1/s1
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InChIKey
ALWCYQQMICBVDQ-CYBMUJFWSA-N
Physicochemical Property
logP
2.10382
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
84.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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
CHEMBL4743516
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: PT00907, Dipeptidyl peptidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
IC50 = 8100 nM
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