Osimertinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular Identity
Osimertinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID: 71496458
Osimertinib is a member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. It has a role as an antineoplastic agent and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of acrylamides, a member of indoles, a monomethoxybenzene, an aminopyrimidine, a substituted aniline, a secondary amino compound, a tertiary amino compound and a biaryl. It is a conjugate base of an osimertinib(1+).
2D Structure
Properties
C28H33N7O2
Molecular Formula
499.60
Molecular Weight
g/mol
499.2696
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
87.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
752
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCIsomeric SMILES
SMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCSynonyms(20)
osimertinib1421373-65-0AZD-9291MereletinibAZD9291AZD 9291osimertinibumN-(2-{[2-(Dimethylamino)ethyl](Methyl)amino}-4-Methoxy-5-{[4-(1-Methyl-1h-Indol-3-Yl)pyrimidin-2-Yl]amino}phenyl)prop-2-EnamideN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide3C06JJ0Z2OAZD-9291 FREE BASEN-[2-[[2-(Dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamideCHEBI:90943DTXSID5010259612-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Osimertinib
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