Bamocaftor
N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Molecular Identity
Bamocaftor
N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID: 134393443
2D Structure
Properties
C28H32F3N5O4S
Molecular Formula
591.60
Molecular Weight
g/mol
591.2127
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
115
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCCC4(CC4)C(F)(F)F)C(=O)NS(=O)(=O)C5=CC=CC=C5)(C)CIsomeric SMILES
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCCC4(CC4)C(F)(F)F)C(=O)NS(=O)(=O)C5=CC=CC=C5)(C)CSynonyms(20)
Bamocaftor2204245-48-5VX-659VX6598C7XEW3K7SN-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide3-Pyridinecarboxamide, N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-N-(BENZENESULFONYL)-6-(3-(2-(1-(TRIFLUOROMETHYL)CYCLOPROPYL)ETHOXY)-1H-PYRAZOL-1-YL)-2-((4S)-2,2,4-TRIMETHYLPYRROLIDIN-1-YL)PYRIDINE-3-CARBOXAMIDEN-(benzenesulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)pyrazol-1-yl)-2-((4S)-2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamideN-(Benzenesulfonyl)-6-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamideRefChem:116419Bamocaftor [USAN]UNII-8C7XEW3K7SBamocaftor (USAN)WHO 11167
Data from PubChem (NCBI)
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