4-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(4-methylpentyl)morpholine

• ChemBase ID: 735791
• Molecular Formular: C19H29N3O
• Molecular Mass: 315.45306
• Monoisotopic Mass: 315.23106256
• SMILES: c12nc(cn1ccc(c2)C)CN1CC(OCC1)CCCC(C)C
• Canonical SMILES: CC(CCCC1OCCN(C1)Cc1cn2c(n1)cc(cc2)C)C
• InChI: InChI=1S/C19H29N3O/c1-15(2)5-4-6-18-14-21(9-10-23-18)12-17-13-22-8-7-16(3)11-19(22)20-17/h7-8,11,13,15,18H,4-6,9-10,12,14H2,1-3H3
• InChIKey: BYBFKOBJJVGEOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7332997
• LogD (pH = 7.4): 3.5979733
• Log P: 3.6371615
• Molar Refractivity: 95.367 cm^3
• Polarizability: 36.803665 Å^3
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.73
• LOG S: -3.68
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 6