Olacaftor
N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Molecular Identity
Olacaftor
N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID: 121250885
2D Structure
Properties
C29H34FN3O4S
Molecular Formula
539.70
Molecular Weight
g/mol
539.2254
Exact Mass
Da
6.3
XLogP
Above Lipinski threshold
97
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
902
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(N(C1)C2=C(C=CC(=N2)C3=CC(=CC(=C3)F)OCC(C)C)C(=O)NS(=O)(=O)C4=CC=CC=C4)(C)CIsomeric SMILES
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)C3=CC(=CC(=C3)F)OCC(C)C)C(=O)NS(=O)(=O)C4=CC=CC=C4)(C)CSynonyms(20)
Olacaftor1897384-89-2Olacaftor [USAN]VX-440RZ7027HK8FUNII-RZ7027HK8FOLACAFTOR [INN]Olacaftor (USAN)3-Pyridinecarboxamide, 6-(3-fluoro-5-(2-methylpropoxy)phenyl)-N-(phenylsulfonyl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-6-(3-fluoro-5-(2-methylpropoxy)phenyl)-N-(phenylsulfonyl)-2-((4S)-2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamideolacaftorum3-Pyridinecarboxamide, 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-n-(phenylsulfonyl)-2-[(4s)-2,2,4-trimethyl-1-pyrrolidinyl]-6-[3-Fluoro-5-(2-methylpropoxy)phenyl]-N-(phenylsulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamideRefChem:168051N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Data from PubChem (NCBI)
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