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Chemical structure of KDM5-IN-1

GC32790

KDM5-IN-1

Also known as 5-(1-tert-butylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

KDM5-IN-1 is a potent, selective and orally bioavailable KDM5 inhibitor with an IC50 of 15·1 nM

ChemicalCAS1628210-26-3MW324.38FormulaC17H20N6O
CAS number
1628210-26-3
Molecular weight
324.38
Formula
C17H20N6O
Solubility
DMSO ： ≥ 30 mg/mL (92·48 mM)
InChIKey
YQCOPPONWZNBQO-UHFFFAOYSA-N
Catalogue number
GC32790
Brand
GLPBIO
Computed properties PubChem CID 118908379 · XLogP 1.6 · TPSA 86.3 Ų · H-bond donors 1
XLogP
1.6
TPSA
86.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CN(N=C3)C(C)(C)C

Computed descriptors from PubChem (CID 118908379), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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