Telotristat Ethyl
ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
Molecular Identity
Telotristat Ethyl
ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
PubChem CID: 25181577
2D Structure
Properties
C27H26ClF3N6O3
Molecular Formula
575.00
Molecular Weight
g/mol
574.1707
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
131
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
821
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)NIsomeric SMILES
SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)NSynonyms(20)
TELOTRISTAT ETHYL1033805-22-9LX1606LX-1606LX 1606LX1032LX 1032LX-1032DTXSID001102271ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate8G388563M7ethyl (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoateethyl (2S)-2-amino-3-(4-(2-amino-6-((1R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoateethyl (2S)-2-amino-3-(4-(2-amino-6-((1R)-1-(4-chloro-2-(3-methylpyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoateRefChem:57926
Data from PubChem (NCBI)
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