3-(4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)propan-1-ol

• ChemBase ID: 463015
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(C(=O)N2CCN(CC2)CCCO)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: OCCCN1CCN(CC1)C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C21H24N4O2/c26-14-4-9-23-10-12-24(13-11-23)21(27)18-7-8-20-22-19(16-25(20)15-18)17-5-2-1-3-6-17/h1-3,5-8,15-16,26H,4,9-14H2
• InChIKey: ONPWFFUBRFLTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)propan-1-ol
• IUPAC Traditional name: 3-(4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)propan-1-ol
• Synonyms: 3-{4-[(2-phenylimidazo[1,2-a]pyridin-6-yl)carbonyl]piperazin-1-yl}propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.933372
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.31268105
• LogD (pH = 7.4): 1.171987
• Log P: 1.3075949
• Molar Refractivity: 106.7802 cm^3
• Polarizability: 41.385277 Å^3
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.48
• LOG S: -2.27
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 5