N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 721199
• Molecular Formular: C18H18N6O2
• Molecular Mass: 350.37452
• Monoisotopic Mass: 350.14912385
• SMILES: n1c(onc1COC)c1cnc(NCCc2nc3n(c2)cccc3)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C18H18N6O2/c1-25-12-16-22-18(26-23-16)13-5-6-15(20-10-13)19-8-7-14-11-24-9-3-2-4-17(24)21-14/h2-6,9-11H,7-8,12H2,1H3,(H,19,20)
• InChIKey: OKGVFEXXKOVHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.93854
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1285183
• LogD (pH = 7.4): 2.0803387
• Log P: 2.120651
• Molar Refractivity: 109.8721 cm^3
• Polarizability: 36.50355 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.46
• LOG S: -4.64
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 6