4-(2-chlorophenoxy)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 845568
• Molecular Formular: C19H18ClN3O2
• Molecular Mass: 355.81812
• Monoisotopic Mass: 355.10875451
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CCC(Oc2c(Cl)cccc2)CC1
• Canonical SMILES: Clc1ccccc1OC1CCN(CC1)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C19H18ClN3O2/c20-15-5-1-2-6-17(15)25-14-8-11-22(12-9-14)19(24)16-13-21-18-7-3-4-10-23(16)18/h1-7,10,13-14H,8-9,11-12H2
• InChIKey: OBQJLPIHVVYLDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenoxy)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 4-(2-chlorophenoxy)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-{[4-(2-chlorophenoxy)-1-piperidinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1519535
• LogD (pH = 7.4): 2.2326448
• Log P: 2.233799
• Molar Refractivity: 97.4747 cm^3
• Polarizability: 36.775013 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.35
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3