N-benzyl-4-(pyridin-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide

• ChemBase ID: 445117
• Molecular Formular: C18H19N5O2S
• Molecular Mass: 369.44076
• Monoisotopic Mass: 369.12594587
• SMILES: S(=O)(=O)(N1C(c2c([nH]cn2)CC1)c1ccncc1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(N1CCc2c(C1c1ccncc1)nc[nH]2)NCc1ccccc1
• InChI: InChI=1S/C18H19N5O2S/c24-26(25,22-12-14-4-2-1-3-5-14)23-11-8-16-17(21-13-20-16)18(23)15-6-9-19-10-7-15/h1-7,9-10,13,18,22H,8,11-12H2,(H,20,21)
• InChIKey: DUQDWHXLJJGDSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-(pyridin-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide
• IUPAC Traditional name: N-benzyl-4-(pyridin-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide
• Synonyms: N-benzyl-4-pyridin-4-yl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.41741
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.005833431
• LogD (pH = 7.4): 0.5287941
• Log P: 0.5416175
• Molar Refractivity: 98.688 cm^3
• Polarizability: 38.90044 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -1.77
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 3