(4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}morpholin-3-yl)methanol

• ChemBase ID: 669178
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(C(=O)N2C(COCC2)CO)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: OCC1COCCN1C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C19H19N3O3/c23-12-16-13-25-9-8-22(16)19(24)15-6-7-18-20-17(11-21(18)10-15)14-4-2-1-3-5-14/h1-7,10-11,16,23H,8-9,12-13H2
• InChIKey: KEOCJXHTTHXUJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}morpholin-3-yl)methanol
• IUPAC Traditional name: (4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}morpholin-3-yl)methanol
• Synonyms: {4-[(2-phenylimidazo[1,2-a]pyridin-6-yl)carbonyl]morpholin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.020105
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0550824
• LogD (pH = 7.4): 1.2388089
• Log P: 1.2417822
• Molar Refractivity: 94.6094 cm^3
• Polarizability: 36.857006 Å^3
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.15
• LOG S: -3.1
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 3