Ksq-4279
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
Molecular Identity
Ksq-4279
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID: 150782011
2D Structure
Properties
C27H25F3N8O
Molecular Formula
534.50
Molecular Weight
g/mol
534.2103
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
96.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
10
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1C=C(N=C1C2=CC=C(C=C2)CN3C4=NC(=NC=C4C=N3)C5=C(N=CN=C5OC)C6CC6)C(F)(F)FIsomeric SMILES
SMILES: CC(C)N1C=C(N=C1C2=CC=C(C=C2)CN3C4=NC(=NC=C4C=N3)C5=C(N=CN=C5OC)C6CC6)C(F)(F)FSynonyms(20)
KSQ-42792446480-97-1USP1-IN-11H-Pyrazolo(3,4-d)pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-((4-(1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl)phenyl)methyl)-6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidineexample 143 [WO2020132269A1]example 143 (WO2020132269A1)6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-((4-(1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl)phenyl)methyl)pyrazolo(3,4-d)pyrimidineRefChem:151484Ksq 4279USP1 inhibitor KSQ-4279Ubiquitin Specific Protease 1 Inhibitor KSQ-42796-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidineUNII-HK5F3RGM8PHK5F3RGM8P
Data from PubChem (NCBI)
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