Befotertinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular Identity
Befotertinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID: 130412842
2D Structure
Properties
C29H32F3N7O2
Molecular Formula
567.60
Molecular Weight
g/mol
567.2570
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
87.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
863
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC(F)(F)F)OCIsomeric SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC(F)(F)F)OCSynonyms(20)
Befotertinib1835667-63-4UNII-0XT2CPR891Befotertinib [INN]0XT2CPR891SurmanaD-0316N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamideD03162-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1H-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)prop-2-enamidecompound 4 [WO2019218987A1]D 0316compound 4 (WO2019218987A1)2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)-1H-indol-3-yl]-2-pyrimidinyl]amino]phenyl]-
Data from PubChem (NCBI)
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