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

• ChemBase ID: 647434
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(nc(on1)C1CCN(CC1)C)c1c2c(cnc1C)CNCC2
• Canonical SMILES: CN1CCC(CC1)c1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C17H23N5O/c1-11-15(14-3-6-18-9-13(14)10-19-11)16-20-17(23-21-16)12-4-7-22(2)8-5-12/h10,12,18H,3-9H2,1-2H3
• InChIKey: JPTBWQXOHVPJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.588499
• LogD (pH = 7.4): -1.2383555
• Log P: 1.3040377
• Molar Refractivity: 101.2444 cm^3
• Polarizability: 34.59127 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.26
• LOG S: -0.7
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 2