2-ethyl-4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-1-(propan-2-yl)piperazine

• ChemBase ID: 319060
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(C(=O)N2CC(N(CC2)C(C)C)CC)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CCC1CN(CCN1C(C)C)C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-4-20-15-25(12-13-27(20)17(2)3)23(28)19-10-11-22-24-21(16-26(22)14-19)18-8-6-5-7-9-18/h5-11,14,16-17,20H,4,12-13,15H2,1-3H3
• InChIKey: XKGDBNJTMLJERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-1-(propan-2-yl)piperazine
• IUPAC Traditional name: 2-ethyl-1-isopropyl-4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperazine
• Synonyms: 6-[(3-ethyl-4-isopropylpiperazin-1-yl)carbonyl]-2-phenylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0982504
• LogD (pH = 7.4): 3.0031805
• Log P: 3.6502175
• Molar Refractivity: 113.7327 cm^3
• Polarizability: 44.48209 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.25
• LOG S: -4.72
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4