N-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methanesulfonamide

• ChemBase ID: 727485
• Molecular Formular: C15H19FN4O3S
• Molecular Mass: 354.3997632
• Monoisotopic Mass: 354.11618971
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C15H19FN4O3S/c1-10-3-4-12-17-13(14(16)20(12)9-10)15(21)19-7-5-11(6-8-19)18-24(2,22)23/h3-4,9,11,18H,5-8H2,1-2H3
• InChIKey: UQGGIDLWRANGCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methanesulfonamide
• IUPAC Traditional name: N-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methanesulfonamide
• Synonyms: N-{1-[(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.52409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4868033
• LogD (pH = 7.4): -0.4866879
• Log P: -0.48665714
• Molar Refractivity: 88.0749 cm^3
• Polarizability: 33.34865 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.36
• LOG S: -2.79
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 2