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

• ChemBase ID: 855178
• Molecular Formular: C24H21N3O2
• Molecular Mass: 383.44244
• Monoisotopic Mass: 383.16337693
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)C1CCCN(C1)C(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C24H21N3O2/c28-23(19-11-10-17-6-1-2-7-18(17)14-19)20-8-5-13-27(15-20)24(29)21-16-26-12-4-3-9-22(26)25-21/h1-4,6-7,9-12,14,16,20H,5,8,13,15H2
• InChIKey: CUUBKYKRYMWHGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridine-2-carbonyl}-3-(naphthalene-2-carbonyl)piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridine-2-carbonyl}-3-(naphthalene-2-carbonyl)piperidine
• Synonyms: [1-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-piperidinyl](2-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.313374
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.411638
• LogD (pH = 7.4): 3.4160693
• Log P: 3.416126
• Molar Refractivity: 112.9314 cm^3
• Polarizability: 43.615086 Å^3
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.54
• LOG S: -5.15
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 3