N-(1-ethyl-1H-indazol-3-yl)-2-(2-methyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 471375
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: c1(nn(c2c1cccc2)CC)NC(=O)Cn1c(ncc1)C
• Canonical SMILES: CCn1nc(c2c1cccc2)NC(=O)Cn1ccnc1C
• InChI: InChI=1S/C15H17N5O/c1-3-20-13-7-5-4-6-12(13)15(18-20)17-14(21)10-19-9-8-16-11(19)2/h4-9H,3,10H2,1-2H3,(H,17,18,21)
• InChIKey: XBWAWYKSTKOLRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-indazol-3-yl)-2-(2-methyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-(1-ethylindazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
• Synonyms: N-(1-ethyl-1H-indazol-3-yl)-2-(2-methyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.148917
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.50847685
• LogD (pH = 7.4): 1.2933534
• Log P: 1.5118052
• Molar Refractivity: 93.0053 cm^3
• Polarizability: 31.295874 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.46
• LOG S: -2.51
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4