5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-(oxane-4-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 747242
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: c1(nc(on1)C1CC1)c1c2c(CN(C(=O)C3CCOCC3)CC2)cnc1C
• Canonical SMILES: O=C(N1CCc2c(C1)cnc(c2c1noc(n1)C1CC1)C)C1CCOCC1
• InChI: InChI=1S/C20H24N4O3/c1-12-17(18-22-19(27-23-18)13-2-3-13)16-4-7-24(11-15(16)10-21-12)20(25)14-5-8-26-9-6-14/h10,13-14H,2-9,11H2,1H3
• InChIKey: JVOGAYDRYUIWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-(oxane-4-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-(oxane-4-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-(tetrahydro-2H-pyran-4-ylcarbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5968504
• LogD (pH = 7.4): 1.62003
• Log P: 1.6203341
• Molar Refractivity: 111.2339 cm^3
• Polarizability: 38.34214 Å^3
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.77
• LOG S: -2.54
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 3