2-(dimethylamino)-1-{6-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridin-2-yl}ethan-1-one

• ChemBase ID: 601575
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c1(nc(on1)C(C)C)c1c2c(CN(C(=O)CN(C)C)CC2)cnc1C
• Canonical SMILES: CN(CC(=O)N1CCc2c(C1)cnc(c2c1noc(n1)C(C)C)C)C
• InChI: InChI=1S/C18H25N5O2/c1-11(2)18-20-17(21-25-18)16-12(3)19-8-13-9-23(7-6-14(13)16)15(24)10-22(4)5/h8,11H,6-7,9-10H2,1-5H3
• InChIKey: DPIVYTMBGMKJEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-1-{6-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridin-2-yl}ethan-1-one
• IUPAC Traditional name: 2-(dimethylamino)-1-[5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
• Synonyms: 2-[5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-2,7-naphthyridin-2(1H)-yl]-N,N-dimethyl-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.34017876
• LogD (pH = 7.4): 1.3233418
• Log P: 1.67688
• Molar Refractivity: 107.7144 cm^3
• Polarizability: 36.929092 Å^3
• Polar Surface Area: 75.36 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: 0.79
• LOG S: -2.38
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4