Pebezertinib
N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular Identity
Pebezertinib
N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID: 163280903
2D Structure
Properties
C24H19F4N7O
Molecular Formula
497.40
Molecular Weight
g/mol
497.1587
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
96.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
748
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3=C(C=CC(=C3)NC(=O)C=C)F)C4=CC=C(C=C4)C(F)(F)FIsomeric SMILES
SMILES: CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3=C(C=CC(=C3)NC(=O)C=C)F)C4=CC=C(C=C4)C(F)(F)FSynonyms(20)
Pebezertinib2769954-39-2BLU-451BLU203139;Pebezertinib (USAN)BLU-203139;PEBEZERTINIB [USAN]2-Propenamide, N-[4-fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]phenyl]-N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamidepebezertinib [INN]Pebezertinib; BLU-451G8G5AU5GLJBLU451LNG451orb2647563
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pebezertinib
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