2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]-1-phenylethan-1-ol

• ChemBase ID: 699333
• Molecular Formular: C23H28N4O3
• Molecular Mass: 408.49342
• Monoisotopic Mass: 408.21614078
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CC(c1ccccc1)O)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)CC(c1ccccc1)O
• InChI: InChI=1S/C23H28N4O3/c1-17-7-6-10-27-19(15-25(2)16-20(28)18-8-4-3-5-9-18)21(24-22(17)27)23(29)26-11-13-30-14-12-26/h3-10,20,28H,11-16H2,1-2H3
• InChIKey: BZFMGSJOYUBNKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]-1-phenylethan-1-ol
• IUPAC Traditional name: 2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]-1-phenylethanol
• Synonyms: 2-(methyl{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)-1-phenylethanol

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.111451
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5797782
• LogD (pH = 7.4): 1.150576
• Log P: 1.6938492
• Molar Refractivity: 117.5472 cm^3
• Polarizability: 44.321606 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 1
• Log P: 1.57
• LOG S: -2.64