Mobocertinib
propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Molecular Identity
Mobocertinib
propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
PubChem CID: 118607832
2D Structure
Properties
C32H39N7O4
Molecular Formula
585.70
Molecular Weight
g/mol
585.3064
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
935
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCIsomeric SMILES
SMILES: CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCSynonyms(20)
Mobocertinib1847461-43-1TAK-788TAK788AP3278839HBQ4A67LAP-32788DTXSID2013367495-Pyrimidinecarboxylic acid, 2-((4-((2-(dimethylamino)ethyl)methylamino)-2-methoxy-5-((1-oxo-2-propen-1-yl)amino)phenyl)amino)-4-(1-methyl-1H-indol-3-yl)-, 1-methylethyl esterPropan-2-yl 2-(5-(acryloylamino)-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyanilino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylateRefChem:58463TAK 788DTXCID101766995EGFR/HER2 Inhibitor TAK-788AP 32788
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mobocertinib
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