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

• ChemBase ID: 363617
• Molecular Formular: C15H16N6O
• Molecular Mass: 296.32714
• Monoisotopic Mass: 296.13855916
• SMILES: c1(nc(c2nc(c[nH]2)C)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1c[nH]c(n1)c1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H16N6O/c1-8-5-18-14(19-8)15-20-13(21-22-15)12-9(2)17-7-10-6-16-4-3-11(10)12/h5,7,16H,3-4,6H2,1-2H3,(H,18,19)
• InChIKey: HKPGQQUEZXLSIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-[5-(4-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-[5-(4-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-[5-(4-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.799969
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9510843
• LogD (pH = 7.4): -0.3831098
• Log P: 1.064377
• Molar Refractivity: 113.6907 cm^3
• Polarizability: 31.03343 Å^3
• Polar Surface Area: 92.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.39
• LOG S: -0.68
• Polar Surface Area: 92.52 Å^2
• Rotatable Bonds: 2