Molecules/2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
Molecular Identity
2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID: 178695620
2D Structure
Properties
C27H25F5N6O4
Molecular Formula
592.50
Molecular Weight
g/mol
592.1857
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
13
H-Bond Acceptors
980
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(C1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=C(C=CC5=C4C(=O)N(C5)C)F)C(F)(F)F)OCIsomeric SMILES
SMILES: CN1CC[C@@H](C1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=C(C=CC5=C4C(=O)N(C5)C)F)C(F)(F)F)OCSynonyms(3)
EX-A16944IN100283121210-62-3
Data from PubChem (NCBI)
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Molecular Structure
2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
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Drug Network
Trials and conditions connected to 2-fluoro-4-[[4-[(5-fluoro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
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