4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(4-methylpentyl)morpholine

• ChemBase ID: 541555
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CC(OCC1)CCCC(C)C
• Canonical SMILES: CC(CCCC1OCCN(C1)C(=O)c1cn2c(n1)cc(cc2)C)C
• InChI: InChI=1S/C19H27N3O2/c1-14(2)5-4-6-16-12-22(9-10-24-16)19(23)17-13-21-8-7-15(3)11-18(21)20-17/h7-8,11,13-14,16H,4-6,9-10,12H2,1-3H3
• InChIKey: ZZPONEQTYFCQQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(4-methylpentyl)morpholine
• IUPAC Traditional name: 4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(4-methylpentyl)morpholine
• Synonyms: 7-methyl-2-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2933416
• LogD (pH = 7.4): 3.298075
• Log P: 3.2981355
• Molar Refractivity: 95.8463 cm^3
• Polarizability: 36.270615 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.71
• LOG S: -4.71
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4