1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenoxybenzoyl)piperidine

• ChemBase ID: 326091
• Molecular Formular: C27H25N3O3
• Molecular Mass: 439.5057
• Monoisotopic Mass: 439.18959168
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)Oc1ccccc1)C1CCCN(C1)C(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C27H25N3O3/c1-19-7-5-15-29-18-24(28-26(19)29)27(32)30-16-6-8-21(17-30)25(31)20-11-13-23(14-12-20)33-22-9-3-2-4-10-22/h2-5,7,9-15,18,21H,6,8,16-17H2,1H3
• InChIKey: LGQNHEQCWZXNFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenoxybenzoyl)piperidine
• IUPAC Traditional name: 1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenoxybenzoyl)piperidine
• Synonyms: {1-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinyl}(4-phenoxyphenyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.497288
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4323416
• LogD (pH = 7.4): 4.440256
• Log P: 4.4403577
• Molar Refractivity: 127.7632 cm^3
• Polarizability: 48.183895 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.96
• LOG S: -5.84
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5