N'1-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]cyclopropane-1,1-dicarboxamide

• ChemBase ID: 851265
• Molecular Formular: C22H24N4O3
• Molecular Mass: 392.45096
• Monoisotopic Mass: 392.18484065
• SMILES: C1(C(=O)Nc2nn(c3c2c(OC(C)C)ccc3)Cc2ccccc2)(CC1)C(=O)N
• Canonical SMILES: CC(Oc1cccc2c1c(NC(=O)C1(CC1)C(=O)N)nn2Cc1ccccc1)C
• InChI: InChI=1S/C22H24N4O3/c1-14(2)29-17-10-6-9-16-18(17)19(24-21(28)22(11-12-22)20(23)27)25-26(16)13-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H2,23,27)(H,24,25,28)
• InChIKey: MUSWUWBAWWXELX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-(1-benzyl-4-isopropoxyindazol-3-yl)cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-(1-benzyl-4-isopropoxy-1H-indazol-3-yl)cyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.097086
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.3128936
• LogD (pH = 7.4): 3.312814
• Log P: 3.312897
• Molar Refractivity: 122.1484 cm^3
• Polarizability: 43.0827 Å^3
• Polar Surface Area: 99.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.5
• LOG S: -4.2
• Polar Surface Area: 99.24 Å^2
• Rotatable Bonds: 7