Fotagliptin

HCID 53258570
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Basic information

Standard SMILES
Cc1nnc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
InChIKey
IXSWMXRAIPXMRH-OAHLLOKOSA-N
Molecular formula
C17H19FN6O
Average molar mass
342.4 g/mol

Names & identifiers

Preferred name
Fotagliptin
IUPAC
2-[[3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl]-4-fluorobenzonitrile

Names & synonyms

Fotagliptin1312954-58-7SAL067CHEMBL54084952-[[3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl]-4-fluorobenzonitrileXinlitingorb1700575SCHEMBL2020371GTPL13951FCN 005FCN-005SAL-067
Show more names
IXSWMXRAIPXMRH-OAHLLOKOSA-NBDBM50628584AKOS040748376compound 66 [PMID: 37647598]DA-63593HY-123377CS-0082587T27353

Database identifiers

PubChem CID
53258570
ChEMBL
CHEMBL5408495
Nikkaji
J3.756.752C

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
98.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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