chempirical

Olprinone

C14H10N4OCAS 106730-54-5250.26 g/mol

Open in Covalent MOL file
NHONNN
NitrilePhenol

Properties

Molecular formula
C14H10N4O
Molar mass
250.26 g/mol
Exact mass
250.0855 Da
Melting point
above 300 °C
logP
2.28Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
106730-54-5
SMILES
Cc1nc(O)c(C#N)cc1-c1ccc2nccn2c1
InChIKey
JPAWFIIYTJQOKW-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Pyridinecarbonitrile, 1,2-dihydro-5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-
  • Imidazo[1,2-a]pyridine, 3-pyridinecarbonitrile deriv.
  • 1,2-Dihydro-5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-3-pyridinecarbonitrile
  • Loprinone
  • 1,2-Dihydro-5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxonicotinonitrile

Work with Olprinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Milrinone78415-72-260 % similar Milrinone lactate100286-97-346 % similar [Imidazo[1,2-A]pyridin-6-yl]boronic acid913835-63-933 % similar 3-Cyano-2-pyridone20577-27-933 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-731 % similar Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-931 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook