ethyl 3-[(3-methoxyphenyl)methyl]-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-3-carboxylate

• ChemBase ID: 733734
• Molecular Formular: C25H29N3O4
• Molecular Mass: 435.51546
• Monoisotopic Mass: 435.21580642
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC(C(=O)OCC)(Cc2cc(OC)ccc2)CCC1
• Canonical SMILES: CCOC(=O)C1(CCCN(C1)C(=O)c1nc2n(c1)cccc2C)Cc1cccc(c1)OC
• InChI: InChI=1S/C25H29N3O4/c1-4-32-24(30)25(15-19-9-5-10-20(14-19)31-3)11-7-13-28(17-25)23(29)21-16-27-12-6-8-18(2)22(27)26-21/h5-6,8-10,12,14,16H,4,7,11,13,15,17H2,1-3H3
• InChIKey: JLLLNCPWHGRXBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[(3-methoxyphenyl)methyl]-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 3-[(3-methoxyphenyl)methyl]-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-3-carboxylate
• Synonyms: ethyl 3-(3-methoxybenzyl)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6572335
• LogD (pH = 7.4): 3.6651475
• Log P: 3.6652493
• Molar Refractivity: 122.8832 cm^3
• Polarizability: 46.620728 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.08
• LOG S: -4.32
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 4