General Information of the Compound
Compound ID
CP0365087
Compound Name
N-methyl-N-(1-pyridin-2-ylpyrazol-3-yl)-1H-indazol-5-amine
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Structure
Formula
C16H14N6
Molecular Weight
290.33
Canonical SMILES
CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
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InChI
InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
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InChIKey
PNHHRWFIFSETRC-UHFFFAOYSA-N
Physicochemical Property
logP
2.9115
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
62.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 127052039
ChEMBL ID
CHEMBL3823956
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: PT03542, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000470 CHO-S Cricetulus griseus (Chinese hamster)  2
1
IC50 = 353 nM
   TI
   LI
   LO
   TS
2
IC50 > 83300 nM
   TI
   LI
   LO
   TS