Vicriviroc
(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular Identity
Vicriviroc
(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
PubChem CID: 3009355
(4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone is a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C28H38F3N5O2
Molecular Formula
533.60
Molecular Weight
g/mol
533.2978
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
61.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
773
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
VicrivirocSCH-D306296-47-9(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanoneTL515DW4QSMK-7690SCH-417690 FREE BASEMK-4176DTXSID40897719vicrivirocum(4,6-dimethylpyrimidin-5-yl)-(4-((3S)-4-((1R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanoneRefChem:934022DTXCID3013269395-(4-((3S)-4-((1R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carbonyl)-4,6-dimethylpyrimidineVicriviroc [INN]
Data from PubChem (NCBI)
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