Rezatapopt
4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide
Molecular Identity
Rezatapopt
4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide
PubChem CID: 156195543
2D Structure
Properties
C28H31F4N5O2
Molecular Formula
545.60
Molecular Weight
g/mol
545.2414
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
70.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
892
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)C1=CC(=C(C=C1)NCC#CC2=CC3=C(C=CC=C3N2CC(F)(F)F)NC4CCN(CC4F)C)OCIsomeric SMILES
SMILES: CNC(=O)C1=CC(=C(C=C1)NCC#CC2=CC3=C(C=CC=C3N2CC(F)(F)F)N[C@@H]4CCN(C[C@@H]4F)C)OCSynonyms(20)
Rezatapopt2636846-41-6PC-145865W59S33KC9PC 14586RefChem:1098028PC145864-((3-(4-(((3S,4R)-3-fluoro-1-methylpiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamideA1JMR4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamideBenzamide, 4-[[3-[4-[[(3S,4R)-3-fluoro-1-methyl-4-piperidinyl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl]-2-propyn-1-yl]amino]-3-methoxy-N-methyl-rezatapopt [INN]4-[[3-[4-[[(3S,4R)-3-Fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl]prop-2-yn-1-yl]amino]-3-methoxy-N-methylbenzamideRezatapopt (USAN/INN)REZATAPOPT [USAN]
Data from PubChem (NCBI)
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