5-ethyl-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

• ChemBase ID: 367849
• Molecular Formular: C13H16N4
• Molecular Mass: 228.29294
• Monoisotopic Mass: 228.13749653
• SMILES: c12C(c3ncc(cc3)CC)NCCc2[nH]cn1
• Canonical SMILES: CCc1ccc(nc1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C13H16N4/c1-2-9-3-4-10(15-7-9)12-13-11(5-6-14-12)16-8-17-13/h3-4,7-8,12,14H,2,5-6H2,1H3,(H,16,17)
• InChIKey: FYWPTAFXLDBXRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• IUPAC Traditional name: 5-ethyl-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• Synonyms: 4-(5-ethylpyridin-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.924516
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22245184
• LogD (pH = 7.4): 1.2150629
• Log P: 1.288382
• Molar Refractivity: 66.5073 cm^3
• Polarizability: 25.68023 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.28
• LOG S: 0.64
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2