2-(2H-1,2,3-benzotriazol-2-yl)-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide

• ChemBase ID: 672739
• Molecular Formular: C17H16N6O
• Molecular Mass: 320.34854
• Monoisotopic Mass: 320.13855916
• SMILES: n1(nc2c(n1)cccc2)CC(=O)NCc1nc2n(c1)c(ccc2)C
• Canonical SMILES: O=C(Cn1nc2c(n1)cccc2)NCc1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C17H16N6O/c1-12-5-4-8-16-19-13(10-22(12)16)9-18-17(24)11-23-20-14-6-2-3-7-15(14)21-23/h2-8,10H,9,11H2,1H3,(H,18,24)
• InChIKey: BZJHVHZSHVTJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.315972
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60610247
• LogD (pH = 7.4): 1.1574298
• Log P: 1.1731099
• Molar Refractivity: 101.5182 cm^3
• Polarizability: 34.8095 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.21
• LOG S: -4.53
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4