Sunvozertinib
N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
Molecular Identity
Sunvozertinib
N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
PubChem CID: 139377809
2D Structure
Properties
C29H35ClFN7O3
Molecular Formula
584.10
Molecular Weight
g/mol
583.2474
Exact Mass
Da
5
XLogP
Above Lipinski threshold
115
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
10
H-Bond Acceptors
885
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CCC(C4)N(C)C)OC)Cl)F)OIsomeric SMILES
SMILES: CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CC[C@H](C4)N(C)C)OC)Cl)F)OSynonyms(20)
sunvozertinib2370013-12-8DZD9008Sunvozertinib [INN]L1Q2K5JYO8DZD-9008Example 52 [WO2019149164A1]N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide2-Propenamide, N-(5-((4-((5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl)amino)-2-pyrimidinyl)amino)-2-((3R)-3-(dimethylamino)-1-pyrrolidinyl)-4-methoxyphenyl)-Example 52 (WO2019149164A1)N-(5-((4-(5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino)pyrimidin-2-yl)amino)-2-((3R)-3-(dimethylamino)pyrrolidin-1-yl)-4-methoxyphenyl)prop-2-enamideRefChem:186800EGFR/HER2 Inhibitor DZD9008DZD 9008UNII-L1Q2K5JYO8
Data from PubChem (NCBI)
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