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

• ChemBase ID: 637388
• Molecular Formular: C20H17N7O
• Molecular Mass: 371.39528
• Monoisotopic Mass: 371.1494582
• SMILES: c1(nc(on1)c1ncccc1)c1c2c(CN(c3ncccn3)CC2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1ccccn1)CCN(C2)c1ncccn1
• InChI: InChI=1S/C20H17N7O/c1-13-17(18-25-19(28-26-18)16-5-2-3-7-21-16)15-6-10-27(12-14(15)11-24-13)20-22-8-4-9-23-20/h2-5,7-9,11H,6,10,12H2,1H3
• InChIKey: WJXLGGCWRCXGCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.7977848
• LogD (pH = 7.4): 2.9321632
• Log P: 2.9341893
• Molar Refractivity: 126.0536 cm^3
• Polarizability: 39.639645 Å^3
• Polar Surface Area: 93.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.78
• LOG S: -3.43
• Polar Surface Area: 93.72 Å^2
• Rotatable Bonds: 3