General Information of the Compound
Compound ID
CP0458349
Compound Name
2-(1-methylpyrazol-4-yl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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Structure
Formula
C17H14N6
Molecular Weight
302.341
Canonical SMILES
Cn1cc(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
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InChI
InChI=1S/C17H14N6/c1-23-11-13(9-21-23)16-8-12(5-7-19-16)14-10-20-22-17(14)15-4-2-3-6-18-15/h2-11H,1H3,(H,20,22)
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InChIKey
AQPVZDUZQVWOEP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9342
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 56666809
ChEMBL ID
CHEMBL1828640
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: PT01130, Activin receptor type-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 224 nM
   TI
   LI
   LO
   TS
Protein ID: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS