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

• ChemBase ID: 685594
• Molecular Formular: C23H31N5O2
• Molecular Mass: 409.52454
• Monoisotopic Mass: 409.24777526
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CCC(N2CC(C(=O)N3CCCC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCCC1)C1CCCN(C1)C1CCN(CC1)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C23H31N5O2/c29-22(25-10-3-4-11-25)18-6-5-12-27(17-18)19-8-14-26(15-9-19)23(30)20-16-24-21-7-1-2-13-28(20)21/h1-2,7,13,16,18-19H,3-6,8-12,14-15,17H2
• InChIKey: HOAHQYPFKVLMGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-4-yl)-3-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-4-yl)-3-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1'-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1752062
• LogD (pH = 7.4): -1.8190669
• Log P: 0.2795742
• Molar Refractivity: 117.5213 cm^3
• Polarizability: 44.30481 Å^3
• Polar Surface Area: 61.16 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: 1.34
• LOG S: -3.33
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 3