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

• ChemBase ID: 835006
• Molecular Formular: C25H32N4O2
• Molecular Mass: 420.54718
• Monoisotopic Mass: 420.25252628
• SMILES: c1(nc2n(c1CNCC1OCCCC1)cccc2C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNCC1CCCCO1)cccc2C)CCc1ccccc1
• InChI: InChI=1S/C25H32N4O2/c1-19-9-8-14-29-22(18-26-17-21-12-6-7-16-31-21)23(27-24(19)29)25(30)28(2)15-13-20-10-4-3-5-11-20/h3-5,8-11,14,21,26H,6-7,12-13,15-18H2,1-2H3
• InChIKey: HNPCMINQMNVXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.64908755
• LogD (pH = 7.4): 2.3682132
• Log P: 3.3114555
• Molar Refractivity: 124.8262 cm^3
• Polarizability: 47.389194 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.02
• LOG S: -5.3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 8