1-(4-methoxyphenyl)-3-methyl-4-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-2-one

• ChemBase ID: 760575
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(n2c(nc1C)cccc2)CN1C(C(=O)N(CC1)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)N1CCN(C(C1=O)C)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C21H24N4O2/c1-15-19(25-11-5-4-6-20(25)22-15)14-23-12-13-24(21(26)16(23)2)17-7-9-18(27-3)10-8-17/h4-11,16H,12-14H2,1-3H3
• InChIKey: DGFPOTKPHRZGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-3-methyl-4-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-2-one
• IUPAC Traditional name: 1-(4-methoxyphenyl)-3-methyl-4-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperazin-2-one
• Synonyms: 1-(4-methoxyphenyl)-3-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.565453
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8353015
• LogD (pH = 7.4): 1.7322319
• Log P: 1.7682368
• Molar Refractivity: 105.414 cm^3
• Polarizability: 40.201454 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -4.02
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4