Exarafenib
(3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
Molecular Identity
Exarafenib
(3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID: 156297592
2D Structure
Properties
C26H34F3N5O3
Molecular Formula
521.60
Molecular Weight
g/mol
521.2614
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
90
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)NC(=O)N2CCC(C2)CC(F)(F)F)C3=CC(=NC(=C3)N4CCOCC4)NC(C)COIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)NC(=O)N2CC[C@H](C2)CC(F)(F)F)C3=CC(=NC(=C3)N4CCOCC4)N[C@H](C)COSynonyms(20)
Exarafenib2639957-39-2KIN-2787 free base2VPX8HL8ABKIN-2787KIN2787compound 15 [Chen et al., 2024]example 14 [WO2021081375A1](3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamidecompound 15 (Chen et al., 2024)example 14 (WO2021081375A1)(3S)-N-(3-(2-(((2R)-1-hydroxypropan-2-yl)amino)-6-morpholin-4-ylpyridin-4-yl)-4-methylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamideRefChem:139708B-Raf Inhibitor KIN-2787pan-Raf Inhibitor KIN-2787
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Exarafenib
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