General Information of the Compound
Compound ID
CP0435942
Compound Name
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C17H18N6O
Molecular Weight
322.372
Canonical SMILES
CC(C)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
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InChI
InChI=1S/C17H18N6O/c1-10(2)24-17-12-7-6-11(9-14(12)23(3)22-17)19-16-15-13(20-21-16)5-4-8-18-15/h4-10H,1-3H3,(H2,19,20,21)
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InChIKey
KUOLUIXWHMAUNN-UHFFFAOYSA-N
Physicochemical Property
logP
3.3754
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
80.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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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PubChem ID
CID: 134191965
ChEMBL ID
CHEMBL4245763
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 413 nM
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