Obicetrapib
4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid
Molecular Identity
Obicetrapib
4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid
PubChem CID: 11498596
2D Structure
Properties
C32H31F9N4O5
Molecular Formula
722.60
Molecular Weight
g/mol
722.2151
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
17
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Obicetrapib866399-87-3TA-8995AMG-899DEZ-0018O74K609HN4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid(2R,4S)-4-((3,5-Bis(trifluoromethyl)benzyl)(5-(3-carboxypropoxy)pyrimidin-2-yl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester1(2H)-Quinolinecarboxylic acid, 4-(((3,5-bis(trifluoromethyl)phenyl)methyl)(5-(3-carboxypropoxy)-2-pyrimidinyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-ethyl ester, (2R,4S)-1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][5-(3-carboxypropoxy)-2-pyrimidinyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-ethyl ester, (2R,4S)-4-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}[(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino)pyrimidin-5-yl]oxy}butanoic acidobicetrapibum(2R,4S)-4-[[3,5-Bis(trifluoromethyl)benzyl][5-(3-carboxypropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester4-((2-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)((2R,4S)-1-(ETHOXYCARBONYL)-2-ETHYL-6-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROQUINOLIN-4-YL)AMINO)PYRIMIDIN-5-YL)OXY)BUTANOIC ACID4-(2-((3,5-bis(trifluoromethyl)phenyl)methyl-((2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl)amino)pyrimidin-5-yl)oxybutanoic acid
Data from PubChem (NCBI)
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