General Information of the Compound
Compound ID
CP0225749
Compound Name
3-(1H-indazol-6-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
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Structure
Formula
C19H15N7
Molecular Weight
341.378
Canonical SMILES
C(Nc1ccn2ncc(-c3ccc4cn[nH]c4c3)c2n1)c1ccncc1
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InChI
InChI=1S/C19H15N7/c1-2-15-11-22-25-17(15)9-14(1)16-12-23-26-8-5-18(24-19(16)26)21-10-13-3-6-20-7-4-13/h1-9,11-12H,10H2,(H,21,24)(H,22,25)
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InChIKey
PJONNNARWQLZOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.2797
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
83.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 155538965
ChEMBL ID
CHEMBL4513446
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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 2800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 300 nM