N-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]oxolane-2-carboxamide

• ChemBase ID: 507204
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: c1(nn(c2c1c(OC(C)C)ccc2)Cc1ccccc1)NC(=O)C1OCCC1
• Canonical SMILES: CC(Oc1cccc2c1c(NC(=O)C1CCCO1)nn2Cc1ccccc1)C
• InChI: InChI=1S/C22H25N3O3/c1-15(2)28-18-11-6-10-17-20(18)21(23-22(26)19-12-7-13-27-19)24-25(17)14-16-8-4-3-5-9-16/h3-6,8-11,15,19H,7,12-14H2,1-2H3,(H,23,24,26)
• InChIKey: BSTKGWSYERDQGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]oxolane-2-carboxamide
• IUPAC Traditional name: N-(1-benzyl-4-isopropoxyindazol-3-yl)oxolane-2-carboxamide
• Synonyms: N-(1-benzyl-4-isopropoxy-1H-indazol-3-yl)tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.9020815
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.035965
• LogD (pH = 7.4): 4.0358386
• Log P: 4.035969
• Molar Refractivity: 120.4485 cm^3
• Polarizability: 42.57006 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: 3.65
• LOG S: -5.08
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6