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Chemical structure of Ipivivint

GC63023

Ipivivint

Also known as 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

Ipivivint (compound 38) is a potent CDC-like kinase (CLK) inhibitor with EC50s of 1 nM, 7 nM for CLK2 and CLK3, respectively· Ipivivint inhibits Wnt pathway (EC50=13 nM)

ChemicalCAS1481617-15-5MW464.5FormulaC26H21FN8
CAS number
1481617-15-5
Molecular weight
464.5
Formula
C26H21FN8
InChIKey
YBBUGSYNPXTSGW-UHFFFAOYSA-N
Catalogue number
GC63023
Brand
GLPBIO
Computed properties PubChem CID 136213660 · XLogP 3.1 · TPSA 99.3 Ų · H-bond donors 2
XLogP
3.1
TPSA
99.3 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35

SMILES CN(C)CC1=CC(=CN=C1)C2=CC3=C(NN=C3N=C2)C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F

Computed descriptors from PubChem (CID 136213660), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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