1-(3-methoxyphenyl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine

• ChemBase ID: 645456
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCN(c2cc(OC)ccc2)CC1
• Canonical SMILES: COc1cccc(c1)N1CCN(CC1)C(=O)c1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C20H22N4O2/c1-15-6-7-24-14-18(21-19(24)12-15)20(25)23-10-8-22(9-11-23)16-4-3-5-17(13-16)26-2/h3-7,12-14H,8-11H2,1-2H3
• InChIKey: YBNLDHODZAVAMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• IUPAC Traditional name: 1-(3-methoxyphenyl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• Synonyms: 2-{[4-(3-methoxyphenyl)-1-piperazinyl]carbonyl}-7-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.88
• LOG S: -4.34
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 2.5322511
• LogD (pH = 7.4): 2.537317
• Log P: 2.5373821
• Molar Refractivity: 102.4892 cm^3
• Polarizability: 37.782684 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0