N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-methylfuran-3-carboxamide

• ChemBase ID: 520325
• Molecular Formular: C24H24N4O3
• Molecular Mass: 416.47236
• Monoisotopic Mass: 416.18484065
• SMILES: c1(c2c(n(n1)Cc1ccccc1)cccc2N1CCOCC1)NC(=O)c1c(occ1)C
• Canonical SMILES: O=C(c1ccoc1C)Nc1nn(c2c1c(ccc2)N1CCOCC1)Cc1ccccc1
• InChI: InChI=1S/C24H24N4O3/c1-17-19(10-13-31-17)24(29)25-23-22-20(27-11-14-30-15-12-27)8-5-9-21(22)28(26-23)16-18-6-3-2-4-7-18/h2-10,13H,11-12,14-16H2,1H3,(H,25,26,29)
• InChIKey: NDUWBCBOLQFZSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-methylfuran-3-carboxamide
• IUPAC Traditional name: N-[1-benzyl-4-(morpholin-4-yl)indazol-3-yl]-2-methylfuran-3-carboxamide
• Synonyms: N-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)-2-methyl-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.633753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.060139
• LogD (pH = 7.4): 4.0601254
• Log P: 4.0601497
• Molar Refractivity: 132.9149 cm^3
• Polarizability: 45.703667 Å^3
• Polar Surface Area: 72.53 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: 3.47
• LOG S: -5.2
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 5