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

• ChemBase ID: 761343
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CCN(CCS(=O)(=O)C)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N1CCN(CC1)CCS(=O)(=O)C)C
• InChI: InChI=1S/C17H24N4O3S/c1-13-4-5-21-15(12-13)18-14(2)16(21)17(22)20-8-6-19(7-9-20)10-11-25(3,23)24/h4-5,12H,6-11H2,1-3H3
• InChIKey: AZGICURRSFTHHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-4-(2-methanesulfonylethyl)piperazine
• IUPAC Traditional name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-4-(2-methanesulfonylethyl)piperazine
• Synonyms: 2,7-dimethyl-3-({4-[2-(methylsulfonyl)ethyl]piperazin-1-yl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0135336
• LogD (pH = 7.4): -0.85318965
• Log P: -0.8508534
• Molar Refractivity: 98.4359 cm^3
• Polarizability: 37.55787 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: 0.22
• LOG S: -3.35
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 4