N,5-dimethyl-N-[3-(oxolan-2-yl)propyl]-1H-indazole-3-carboxamide

• ChemBase ID: 771575
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c1(n[nH]c2c1cc(cc2)C)C(=O)N(CCCC1OCCC1)C
• Canonical SMILES: Cc1ccc2c(c1)c(n[nH]2)C(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C17H23N3O2/c1-12-7-8-15-14(11-12)16(19-18-15)17(21)20(2)9-3-5-13-6-4-10-22-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,19)
• InChIKey: YXIANGPAHDYDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-[3-(oxolan-2-yl)propyl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-[3-(oxolan-2-yl)propyl]-1H-indazole-3-carboxamide
• Synonyms: N,5-dimethyl-N-[3-(tetrahydrofuran-2-yl)propyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.393777
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4894776
• LogD (pH = 7.4): 2.4890537
• Log P: 2.4894834
• Molar Refractivity: 87.3788 cm^3
• Polarizability: 33.942814 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.06
• LOG S: -2.3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 5