N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 742512
• Molecular Formular: C16H20N6O
• Molecular Mass: 312.3696
• Monoisotopic Mass: 312.16985929
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NC(c1ncnn1CC)C
• Canonical SMILES: CCn1ncnc1C(NC(=O)Cc1c(C)nc2n1cccc2)C
• InChI: InChI=1S/C16H20N6O/c1-4-22-16(17-10-18-22)12(3)20-15(23)9-13-11(2)19-14-7-5-6-8-21(13)14/h5-8,10,12H,4,9H2,1-3H3,(H,20,23)
• InChIKey: VDBVFTYQTADEOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.775692
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39065415
• LogD (pH = 7.4): 0.3041541
• Log P: 0.32995465
• Molar Refractivity: 99.6915 cm^3
• Polarizability: 32.76067 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.42
• LOG S: -1.84
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5