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

• ChemBase ID: 363956
• Molecular Formular: C22H25N5O3
• Molecular Mass: 407.4656
• Monoisotopic Mass: 407.19573969
• SMILES: c1(nn(c2c1c(OC(C)C)ccc2)Cc1ccccc1)NC(=O)C1NC(=O)N(C1)C
• Canonical SMILES: CC(Oc1cccc2c1c(NC(=O)C1NC(=O)N(C1)C)nn2Cc1ccccc1)C
• InChI: InChI=1S/C22H25N5O3/c1-14(2)30-18-11-7-10-17-19(18)20(24-21(28)16-13-26(3)22(29)23-16)25-27(17)12-15-8-5-4-6-9-15/h4-11,14,16H,12-13H2,1-3H3,(H,23,29)(H,24,25,28)
• InChIKey: UVDHMAYWOLDGIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.02086
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6412876
• LogD (pH = 7.4): 2.6411922
• Log P: 2.6412911
• Molar Refractivity: 125.7587 cm^3
• Polarizability: 44.219765 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.38
• LOG S: -5.06
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 6