N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 568963
• Molecular Formular: C24H24N4O3
• Molecular Mass: 416.47236
• Monoisotopic Mass: 416.18484065
• SMILES: c1(nn(c2c1ccc(c2)OC(C)C)Cc1ccccc1)NC(=O)c1c(=O)cc([nH]c1)C
• Canonical SMILES: CC(Oc1ccc2c(c1)n(Cc1ccccc1)nc2NC(=O)c1c[nH]c(cc1=O)C)C
• InChI: InChI=1S/C24H24N4O3/c1-15(2)31-18-9-10-19-21(12-18)28(14-17-7-5-4-6-8-17)27-23(19)26-24(30)20-13-25-16(3)11-22(20)29/h4-13,15H,14H2,1-3H3,(H,25,29)(H,26,27,30)
• InChIKey: DUXNLATWMPZJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(1-benzyl-6-isopropoxyindazol-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(1-benzyl-6-isopropoxy-1H-indazol-3-yl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.105377
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.878747
• LogD (pH = 7.4): 3.8786683
• Log P: 3.8787496
• Molar Refractivity: 133.5749 cm^3
• Polarizability: 46.28389 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.58
• LOG S: -5.29
• Polar Surface Area: 89.01 Å^2
• Rotatable Bonds: 6