azenosertib
1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
Molecular Identity
azenosertib
1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID: 139467635
2D Structure
Properties
C29H34N8O2
Molecular Formula
526.60
Molecular Weight
g/mol
526.2805
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
875
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
azenosertibZN-C3ZN-C3 [WHO-DD]1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-onecompound 16 [PMID: 34423975]compound 16 (PMID: 34423975)1-((7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta(b)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)anilino)-2-prop-2-enylpyrazolo(3,4-d)pyrimidin-3-oneWee1 Inhibitor ZN-c3RefChem:116072ZN c32376146-48-29J13XU96Z1(R)-2-allyl-1-(7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1-((7R)-7-ethyl-6,7-dihydro-7-hydroxy-5H-cyclopenta(b)pyridin-2-yl)-1,2-dihydro-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-
Data from PubChem (NCBI)
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