Tersolisib
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
Molecular Identity
Tersolisib
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
PubChem CID: 166532451
2D Structure
Properties
C16H12F5N5O2
Molecular Formula
401.29
Molecular Weight
g/mol
401.0911
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
560
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(OC2=C1C=C(C=C2F)F)C(C(F)(F)F)NC(=O)NC3=CN=C(N=C3)NIsomeric SMILES
SMILES: CC1=C(OC2=C1C=C(C=C2F)F)[C@H](C(F)(F)F)NC(=O)NC3=CN=C(N=C3)NSynonyms(20)
STX-4782883540-92-7TersolisibAGX9NKC8M91-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea1-(2-aminopyrimidin-5-yl)-3-((1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl)ureaRefChem:1099457(R)-1-(2-Aminopyrimidin-5-yl)-3-(1-(5,7-difluoro-3-methylbenzofuran-2-yl)-2,2,2-trifluoroethyl)ureaSTX478N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]ureaUrea, N-(2-amino-5-pyrimidinyl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]-tersolisib [INN]ZWEAlpelisib Impurity 2Tersolisib (USAN/INN)
Data from PubChem (NCBI)
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