N-[1-methyl-4-(propan-2-yloxy)-1H-indazol-3-yl]-2-(pyridin-2-yl)acetamide

• ChemBase ID: 666862
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(nn(c2c1c(OC(C)C)ccc2)C)NC(=O)Cc1ncccc1
• Canonical SMILES: CC(Oc1cccc2c1c(NC(=O)Cc1ccccn1)nn2C)C
• InChI: InChI=1S/C18H20N4O2/c1-12(2)24-15-9-6-8-14-17(15)18(21-22(14)3)20-16(23)11-13-7-4-5-10-19-13/h4-10,12H,11H2,1-3H3,(H,20,21,23)
• InChIKey: ZURHPBIJDRRYCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-4-(propan-2-yloxy)-1H-indazol-3-yl]-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-(4-isopropoxy-1-methylindazol-3-yl)-2-(pyridin-2-yl)acetamide
• Synonyms: N-(4-isopropoxy-1-methyl-1H-indazol-3-yl)-2-pyridin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.2241535
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8431504
• LogD (pH = 7.4): 2.8699648
• Log P: 2.870381
• Molar Refractivity: 104.2892 cm^3
• Polarizability: 36.18096 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -2.23
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5