5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 314356
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nc(on1)COCC)c1c2c(CN(Cc3c(nc[nH]3)C)CC2)cnc1C
• Canonical SMILES: CCOCc1onc(n1)c1c(C)ncc2c1CCN(C2)Cc1[nH]cnc1C
• InChI: InChI=1S/C19H24N6O2/c1-4-26-10-17-23-19(24-27-17)18-13(3)20-7-14-8-25(6-5-15(14)18)9-16-12(2)21-11-22-16/h7,11H,4-6,8-10H2,1-3H3,(H,21,22)
• InChIKey: IETIQBBDLVOMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(5-methyl-3H-imidazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.055409
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.4719639
• LogD (pH = 7.4): 0.72559345
• Log P: 1.0244292
• Molar Refractivity: 114.0512 cm^3
• Polarizability: 39.06524 Å^3
• Polar Surface Area: 92.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.63
• LOG S: -1.41
• Polar Surface Area: 92.96 Å^2
• Rotatable Bonds: 6