4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

• ChemBase ID: 406196
• Molecular Formular: C19H16N6O2
• Molecular Mass: 360.36934
• Monoisotopic Mass: 360.13347378
• SMILES: c1(c2nc(C3CN(C(=O)C3)Cc3ncccc3)on2)nc2n(c1)cccc2
• Canonical SMILES: O=C1CC(CN1Cc1ccccn1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C19H16N6O2/c26-17-9-13(10-25(17)11-14-5-1-3-7-20-14)19-22-18(23-27-19)15-12-24-8-4-2-6-16(24)21-15/h1-8,12-13H,9-11H2
• InChIKey: XBLUJEZZJPRLNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
• IUPAC Traditional name: 4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
• Synonyms: 4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(2-pyridinylmethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5654931
• LogD (pH = 7.4): 1.6316191
• Log P: 1.6325053
• Molar Refractivity: 108.5626 cm^3
• Polarizability: 37.089653 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.26
• LOG S: -1.6
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4