2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

• ChemBase ID: 866295
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: c1(n(ncc1)C)NC(=O)Cn1ncc(c2c3c(nc(cc3)C)c(cc2)OC)c1
• Canonical SMILES: COc1ccc(c2c1nc(C)cc2)c1cnn(c1)CC(=O)Nc1ccnn1C
• InChI: InChI=1S/C20H20N6O2/c1-13-4-5-16-15(6-7-17(28-3)20(16)23-13)14-10-22-26(11-14)12-19(27)24-18-8-9-21-25(18)2/h4-11H,12H2,1-3H3,(H,24,27)
• InChIKey: CQZDLZRZLFOSFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide
• IUPAC Traditional name: 2-[4-(8-methoxy-2-methylquinolin-5-yl)pyrazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide
• Synonyms: 2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.077239
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6063759
• LogD (pH = 7.4): 1.6090856
• Log P: 1.6091211
• Molar Refractivity: 127.5922 cm^3
• Polarizability: 42.03404 Å^3
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.33
• LOG S: -3.94
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 5