Trelagliptin
Properties
- Molecular formula
- C18H20FN5O2
- Molar mass
- 357.39 g/mol
- Exact mass
- 357.1601 Da
- logP
- 0.53Crippen estimate
- Polar surface area
- 97.0 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
865759-25-7SMILES
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=OInChIKey
IWYJYHUNXVAVAA-OAHLLOKOSA-NInChI
InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro-
- 2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile
- (R)-2-[[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]methyl]-4-fluorobenzonitrile
- 2-[[6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
Work with Trelagliptin
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Alogliptin850649-61-580 % similar
Alogliptin benzoate850649-62-668 % similar
Linagliptin668270-12-035 % similar
2-Cyano-5-fluorobenzyl bromide421552-12-733 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.