2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1H-indole

• ChemBase ID: 792375
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1(C(=O)N2Cc3c([nH]cn3)CC2)[nH]c2c(c1)cccc2
• Canonical SMILES: O=C(c1cc2c([nH]1)cccc2)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C15H14N4O/c20-15(13-7-10-3-1-2-4-11(10)18-13)19-6-5-12-14(8-19)17-9-16-12/h1-4,7,9,18H,5-6,8H2,(H,16,17)
• InChIKey: YAEBPODYHHGQGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1H-indole
• IUPAC Traditional name: 2-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1H-indole
• Synonyms: 5-(1H-indol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.076716
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.17749476
• LogD (pH = 7.4): 0.69199795
• Log P: 0.70866454
• Molar Refractivity: 76.2365 cm^3
• Polarizability: 29.57055 Å^3
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: -0.5
• LOG S: -2.03
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 1