5-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 450699
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(nc(on1)COc1c(nc(cc1)C)CC)c1c2c(cnc1C)CNCC2
• Canonical SMILES: CCc1nc(C)ccc1OCc1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C20H23N5O2/c1-4-16-17(6-5-12(2)23-16)26-11-18-24-20(25-27-18)19-13(3)22-10-14-9-21-8-7-15(14)19/h5-6,10,21H,4,7-9,11H2,1-3H3
• InChIKey: QMCBAOISBXJMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 4-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 5-(5-{[(2-ethyl-6-methyl-3-pyridinyl)oxy]methyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5416182
• LogD (pH = 7.4): 0.6215229
• Log P: 2.1846502
• Molar Refractivity: 113.1332 cm^3
• Polarizability: 39.41118 Å^3
• Polar Surface Area: 85.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.06
• LOG S: -2.62
• Polar Surface Area: 85.96 Å^2
• Rotatable Bonds: 5