3-{[ethyl(oxolan-2-ylmethyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 792806
• Molecular Formular: C26H34N4O2
• Molecular Mass: 434.57376
• Monoisotopic Mass: 434.26817635
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CC1OCCC1)CC)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CCN(Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C)CC1CCCO1
• InChI: InChI=1S/C26H34N4O2/c1-4-29(18-22-13-9-17-32-22)19-23-24(27-25-20(2)10-8-15-30(23)25)26(31)28(3)16-14-21-11-6-5-7-12-21/h5-8,10-12,15,22H,4,9,13-14,16-19H2,1-3H3
• InChIKey: MVHZUDLDUHTFDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[ethyl(oxolan-2-ylmethyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-{[ethyl(oxolan-2-ylmethyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-{[ethyl(tetrahydro-2-furanylmethyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3199024
• LogD (pH = 7.4): 3.0533464
• Log P: 3.6067429
• Molar Refractivity: 130.2685 cm^3
• Polarizability: 49.23227 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.65
• LOG S: -3.92
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 8