Palazestrant
(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-[4-(1-propylazetidin-3-yl)oxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular Identity
Palazestrant
(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-[4-(1-propylazetidin-3-yl)oxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID: 135351887
2D Structure
Properties
C28H36FN3O
Molecular Formula
449.60
Molecular Weight
g/mol
449.2842
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
31.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
645
Complexity
SMILES
Canonical SMILES
SMILES: CCCN1CC(C1)OC2=CC=C(C=C2)C3C4=C(CC(N3CC(C)(C)F)C)C5=CC=CC=C5N4Isomeric SMILES
SMILES: CCCN1CC(C1)OC2=CC=C(C=C2)[C@@H]3C4=C(C[C@H](N3CC(C)(C)F)C)C5=CC=CC=C5N4Synonyms(20)
Palazestrant2092925-89-6VU35KM56Q4RefChem:1094263OP-1250(1R,3R)-2-(2-Fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1-[4-[(1-propyl-3-azetidinyl)oxy]phenyl]-1H-pyrido[3,4-b]indole(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-[4-(1-propylazetidin-3-yl)oxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole1H-Pyrido[3,4-b]indole, 2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1-[4-[(1-propyl-3-azetidinyl)oxy]phenyl]-, (1R,3R)-palazestrant [INN]A1AEAPalazestrant [WHO-DD]Palazestrant (USAN/INN)PALAZESTRANT [USAN]orb1744552CHEMBL5314475
Data from PubChem (NCBI)
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