{[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}[2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 576233
• Molecular Formular: C23H28ClN5O
• Molecular Mass: 425.95432
• Monoisotopic Mass: 425.19823822
• SMILES: c1(nc2n(c1CNCCc1ncccc1)cc(cc2)Cl)C(=O)N1CCCCCCC1
• Canonical SMILES: Clc1ccc2n(c1)c(CNCCc1ccccn1)c(n2)C(=O)N1CCCCCCC1
• InChI: InChI=1S/C23H28ClN5O/c24-18-9-10-21-27-22(23(30)28-14-6-2-1-3-7-15-28)20(29(21)17-18)16-25-13-11-19-8-4-5-12-26-19/h4-5,8-10,12,17,25H,1-3,6-7,11,13-16H2
• InChIKey: OVLVPJUXWZMKST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: {[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}[2-(pyridin-2-yl)ethyl]amine
• Synonyms: N-{[2-(1-azocanylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}-2-(2-pyridinyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2751581
• LogD (pH = 7.4): 1.9609035
• Log P: 3.0905757
• Molar Refractivity: 120.3434 cm^3
• Polarizability: 45.8321 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.01
• LOG S: -5.0
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6