Alogliptin
Properties
- Molecular formula
- C18H21N5O2
- Molar mass
- 339.40 g/mol
- Exact mass
- 339.1695 Da
- logP
- 0.39Crippen 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. Search the SDS library
Identifiers
CAS number
850649-61-5SMILES
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=OInChIKey
ZSBOMTDTBDDKMP-OAHLLOKOSA-NInChI
InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-
- 2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile
- (R)-2-[6-[3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl]benzonitrile
- 2-[[6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
- Vipidia
Work with Alogliptin
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
Trelagliptin865759-25-780 % similar
Trelagliptin succinate1029877-94-870 % similar
Linagliptin668270-12-037 % similar
(R)-3-Amino-1-N-cbz-piperidine1044560-96-431 % similar
Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-331 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds