[(1R)-1-(3-methoxyphenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 420369
• Molecular Formular: C23H28N4O3
• Molecular Mass: 408.49342
• Monoisotopic Mass: 408.21614078
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN[C@@H](c1cc(OC)ccc1)C)C(=O)N1CCOCC1
• Canonical SMILES: COc1cccc(c1)[C@H](NCc1c(nc2n1cccc2C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C23H28N4O3/c1-16-6-5-9-27-20(15-24-17(2)18-7-4-8-19(14-18)29-3)21(25-22(16)27)23(28)26-10-12-30-13-11-26/h4-9,14,17,24H,10-13,15H2,1-3H3/t17-/m1/s1
• InChIKey: PCTAPUYAWPMULP-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R)-1-(3-methoxyphenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [(1R)-1-(3-methoxyphenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: (1R)-1-(3-methoxyphenyl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.25061786
• LogD (pH = 7.4): 1.4839188
• Log P: 2.2000399
• Molar Refractivity: 117.172 cm^3
• Polarizability: 44.378883 Å^3
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.43
• LOG S: -3.49
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 5