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

• ChemBase ID: 638116
• Molecular Formular: C19H20N6O
• Molecular Mass: 348.4017
• Monoisotopic Mass: 348.16985929
• SMILES: c1(nc(on1)C1CC1)c1c2c(CN(c3nc(ncc3)C)CC2)cnc1C
• Canonical SMILES: Cc1nccc(n1)N1CCc2c(C1)cnc(c2c1noc(n1)C1CC1)C
• InChI: InChI=1S/C19H20N6O/c1-11-17(18-23-19(26-24-18)13-3-4-13)15-6-8-25(10-14(15)9-21-11)16-5-7-20-12(2)22-16/h5,7,9,13H,3-4,6,8,10H2,1-2H3
• InChIKey: HVVNTRFBVKCQPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2681992
• LogD (pH = 7.4): 3.1787477
• Log P: 3.212114
• Molar Refractivity: 110.3127 cm^3
• Polarizability: 36.729637 Å^3
• Polar Surface Area: 80.83 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: 2.1
• LOG S: -3.54
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 3