1-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-ol

• ChemBase ID: 857844
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(c(n2c(n1)cccc2)CN1CC(O)CCC1)C(=O)N1CCOCC1
• Canonical SMILES: OC1CCCN(C1)Cc1c(nc2n1cccc2)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H24N4O3/c23-14-4-3-6-20(12-14)13-15-17(18(24)21-8-10-25-11-9-21)19-16-5-1-2-7-22(15)16/h1-2,5,7,14,23H,3-4,6,8-13H2
• InChIKey: UBDAWHOGURBJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-ol
• IUPAC Traditional name: 1-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-ol
• Synonyms: 1-{[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.885773
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.085729
• LogD (pH = 7.4): -0.46727267
• Log P: -0.13824786
• Molar Refractivity: 95.4344 cm^3
• Polarizability: 35.94819 Å^3
• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.42
• LOG S: -1.81
• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 3