General Information of the Compound
Compound ID
CP0421491
Compound Name
3-(1-methylpyrazol-4-yl)-5-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1H-pyrazolo[4,3-b]pyridine
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Structure
Formula
C17H15F3N8
Molecular Weight
388.357
Canonical SMILES
Cn1cc(cn1)-c1n[nH]c2ccc(nc12)N1CCn2cnc(c2C1)C(F)(F)F
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InChI
InChI=1S/C17H15F3N8/c1-26-7-10(6-22-26)14-15-11(24-25-14)2-3-13(23-15)27-4-5-28-9-21-16(12(28)8-27)17(18,19)20/h2-3,6-7,9H,4-5,8H2,1H3,(H,24,25)
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InChIKey
WJGOGIYVTGUDJS-UHFFFAOYSA-N
Physicochemical Property
logP
2.5939
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
80.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 155484483
ChEMBL ID
CHEMBL4749593
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: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 10 nM
   TI
   LI
   LO
   TS