N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[5-(6-methoxypyridin-3-yl)-1H-indazol-1-yl]acetamide

• ChemBase ID: 350081
• Molecular Formular: C19H19N7O2
• Molecular Mass: 377.39986
• Monoisotopic Mass: 377.16002288
• SMILES: n1(ncc2c1ccc(c2)c1cnc(cc1)OC)CC(=O)Nc1nn(nc1)CC
• Canonical SMILES: COc1ccc(cn1)c1ccc2c(c1)cnn2CC(=O)Nc1cnn(n1)CC
• InChI: InChI=1S/C19H19N7O2/c1-3-26-22-11-17(24-26)23-18(27)12-25-16-6-4-13(8-15(16)10-21-25)14-5-7-19(28-2)20-9-14/h4-11H,3,12H2,1-2H3,(H,23,24,27)
• InChIKey: MFHQGAXKCKHQKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[5-(6-methoxypyridin-3-yl)-1H-indazol-1-yl]acetamide
• IUPAC Traditional name: N-(2-ethyl-1,2,3-triazol-4-yl)-2-[5-(6-methoxypyridin-3-yl)indazol-1-yl]acetamide
• Synonyms: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[5-(6-methoxypyridin-3-yl)-1H-indazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.8264885
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.9016238
• LogD (pH = 7.4): 1.901874
• Log P: 1.9020336
• Molar Refractivity: 128.3011 cm^3
• Polarizability: 41.202724 Å^3
• Polar Surface Area: 99.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.57
• LOG S: -4.14
• Polar Surface Area: 99.75 Å^2
• Rotatable Bonds: 6