N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]oxolane-3-carboxamide

• ChemBase ID: 835130
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: c1(nn(c2c1ccc(c2)OC(C)C)Cc1ccccc1)NC(=O)C1COCC1
• Canonical SMILES: CC(Oc1ccc2c(c1)n(Cc1ccccc1)nc2NC(=O)C1COCC1)C
• InChI: InChI=1S/C22H25N3O3/c1-15(2)28-18-8-9-19-20(12-18)25(13-16-6-4-3-5-7-16)24-21(19)23-22(26)17-10-11-27-14-17/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,23,24,26)
• InChIKey: KAGUPHOJJGKLAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]oxolane-3-carboxamide
• IUPAC Traditional name: N-(1-benzyl-6-isopropoxyindazol-3-yl)oxolane-3-carboxamide
• Synonyms: N-(1-benzyl-6-isopropoxy-1H-indazol-3-yl)tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.340033
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7246788
• LogD (pH = 7.4): 3.7246337
• Log P: 3.7246811
• Molar Refractivity: 120.7045 cm^3
• Polarizability: 42.566917 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.74
• LOG S: -5.16
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6