Ravoxertinib
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
Molecular Identity
Ravoxertinib
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID: 71727581
2D Structure
Properties
C21H18ClFN6O2
Molecular Formula
440.90
Molecular Weight
g/mol
440.1164
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
96.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
709
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(C=C4)Cl)FIsomeric SMILES
SMILES: CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)FSynonyms(20)
Ravoxertinib1453848-26-4GDC-0994GDC0994RG-7842R6AXV96CRH1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one1-[(1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL]-4-{2-[(2-METHYLPYRAZOL-3-YL)AMINO]PYRIMIDIN-4-YL}PYRIDIN-2-ONE1-((1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)-4-pyrimidinyl)-2(1H)-pyridinone2(1H)-Pyridinone, 1-((1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)-4-pyrimidinyl)-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-1,2-dihydropyridin-2-oneravoxertinibum1-((1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-1,2-dihydropyridin-2-one1-((1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((2-methylpyrazol-3-yl)amino)pyrimidin-4-yl)pyridin-2-oneRefChem:930572
Data from PubChem (NCBI)
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