4-methyl-1-({2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)piperidine

• ChemBase ID: 687176
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: S(=O)(=O)(N1Cc2nc([nH]c2CC1)c1ccccc1)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)S(=O)(=O)N1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C18H24N4O2S/c1-14-7-10-21(11-8-14)25(23,24)22-12-9-16-17(13-22)20-18(19-16)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,19,20)
• InChIKey: KHBSQPAKJBEEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-({2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)piperidine
• IUPAC Traditional name: 4-methyl-1-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-ylsulfonyl}piperidine
• Synonyms: 5-[(4-methylpiperidin-1-yl)sulfonyl]-2-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.72688
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2565359
• LogD (pH = 7.4): 1.4803721
• Log P: 1.484219
• Molar Refractivity: 108.5633 cm^3
• Polarizability: 39.353355 Å^3
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.37
• LOG S: -3.0
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1