1-(2-methanesulfonylethyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine

• ChemBase ID: 571723
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCN(CCS(=O)(=O)C)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCN(CC1)CCS(=O)(=O)C
• InChI: InChI=1S/C16H22N4O3S/c1-13-3-4-15-17-14(12-20(15)11-13)16(21)19-7-5-18(6-8-19)9-10-24(2,22)23/h3-4,11-12H,5-10H2,1-2H3
• InChIKey: ZCNAHQQZGSQVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methanesulfonylethyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• IUPAC Traditional name: 1-(2-methanesulfonylethyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• Synonyms: 6-methyl-2-({4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6107781
• LogD (pH = 7.4): -0.51768583
• Log P: -0.51637435
• Molar Refractivity: 93.5949 cm^3
• Polarizability: 35.79745 Å^3
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.52
• LOG S: -2.62
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 4