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

• ChemBase ID: 692175
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: n1(ncc2c1ccc(c2)c1cc(N)ccc1)CC(=O)Nc1nn(nc1)CC
• Canonical SMILES: CCn1ncc(n1)NC(=O)Cn1ncc2c1ccc(c2)c1cccc(c1)N
• InChI: InChI=1S/C19H19N7O/c1-2-26-22-11-18(24-26)23-19(27)12-25-17-7-6-14(8-15(17)10-21-25)13-4-3-5-16(20)9-13/h3-11H,2,12,20H2,1H3,(H,23,24,27)
• InChIKey: SAGPCUZTKLBZGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.8264885
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8346857
• LogD (pH = 7.4): 1.8535907
• Log P: 1.8539938
• Molar Refractivity: 128.3817 cm^3
• Polarizability: 40.730217 Å^3
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.02
• LOG S: -3.56
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 5