Trelagliptin
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
Molecular Identity
Trelagliptin
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
PubChem CID: 15983988
Trelagliptin is a nitrile and a member of benzenes.
2D Structure
Properties
C18H20FN5O2
Molecular Formula
357.40
Molecular Weight
g/mol
357.1601
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
93.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
657
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)NIsomeric SMILES
SMILES: CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)NSynonyms(20)
TRELAGLIPTIN865759-25-7SYR-472trelagliptinatrelagliptineQ836OWG55HDTXSID002356782-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)-4-fluorobenzonitriletrelagliptinum2-((6-((3R)-3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl)-4-fluorobenzonitrileRefChem:190727DTXCID30158169Trelagliptin(SYR-472)MFCD22572746Trelagliptin [USAN]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trelagliptin
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