N-[2-(azepan-1-yl)-2-phenylethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 545870
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCC(N1CCCCCC1)c1ccccc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCC(c1ccccc1)N1CCCCCC1
• InChI: InChI=1S/C23H28N4O/c1-18-16-27-17-20(11-12-22(27)25-18)23(28)24-15-21(19-9-5-4-6-10-19)26-13-7-2-3-8-14-26/h4-6,9-12,16-17,21H,2-3,7-8,13-15H2,1H3,(H,24,28)
• InChIKey: OLPODCBDXAZQQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(azepan-1-yl)-2-phenylethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(azepan-1-yl)-2-phenylethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(2-azepan-1-yl-2-phenylethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.253203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5719148
• LogD (pH = 7.4): 1.6870705
• Log P: 3.0630555
• Molar Refractivity: 113.5479 cm^3
• Polarizability: 43.0162 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.28
• LOG S: -4.75
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5