1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenylazetidine

• ChemBase ID: 688901
• Molecular Formular: C17H14ClN3O
• Molecular Mass: 311.76556
• Monoisotopic Mass: 311.08253976
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1C(CC1)c1ccccc1
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N1CCC1c1ccccc1
• InChI: InChI=1S/C17H14ClN3O/c18-13-6-7-16-19-14(11-20(16)10-13)17(22)21-9-8-15(21)12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2
• InChIKey: YUCIEDSJECHXOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenylazetidine
• IUPAC Traditional name: 1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenylazetidine
• Synonyms: 6-chloro-2-[(2-phenyl-1-azetidinyl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7159054
• LogD (pH = 7.4): 2.7200587
• Log P: 2.7201118
• Molar Refractivity: 86.4202 cm^3
• Polarizability: 32.393673 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -5.12
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2