N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 451232
• Molecular Formular: C21H24N4O4S
• Molecular Mass: 428.50466
• Monoisotopic Mass: 428.15182627
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)NCc3n4c(nc3)cccc4)cccc2)CC1)C
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NCc1cnc2n1cccc2
• InChI: InChI=1S/C21H24N4O4S/c1-30(27,28)24-12-9-17(10-13-24)29-19-7-3-2-6-18(19)21(26)23-15-16-14-22-20-8-4-5-11-25(16)20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,23,26)
• InChIKey: ZJMGHEWOLXJSMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1462345
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5706756
• LogD (pH = 7.4): 0.04366892
• Log P: 0.06940804
• Molar Refractivity: 114.1881 cm^3
• Polarizability: 43.900173 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.28
• LOG S: -4.75
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5