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

• ChemBase ID: 355318
• Molecular Formular: C20H27N5O3
• Molecular Mass: 385.46008
• Monoisotopic Mass: 385.21138975
• SMILES: c1(nc(on1)COCC)c1c2c(CN(C(=O)C3CNCCC3)CC2)cnc1C
• Canonical SMILES: CCOCc1onc(n1)c1c(C)ncc2c1CCN(C2)C(=O)C1CCCNC1
• InChI: InChI=1S/C20H27N5O3/c1-3-27-12-17-23-19(24-28-17)18-13(2)22-10-15-11-25(8-6-16(15)18)20(26)14-5-4-7-21-9-14/h10,14,21H,3-9,11-12H2,1-2H3
• InChIKey: JUQKLEQTJPKFQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(piperidine-3-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(piperidine-3-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(3-piperidinylcarbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.435651
• LogD (pH = 7.4): -1.293914
• Log P: 0.8832685
• Molar Refractivity: 116.5636 cm^3
• Polarizability: 40.667675 Å^3
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.04
• LOG S: -3.35
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 5