N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 842638
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c12nc(cn1cccn2)C(NC(=O)Cc1c([nH]c2c1c(ccc2C)C)C)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C22H25N5O/c1-5-17(18-12-27-10-6-9-23-22(27)26-18)25-19(28)11-16-15(4)24-21-14(3)8-7-13(2)20(16)21/h6-10,12,17,24H,5,11H2,1-4H3,(H,25,28)
• InChIKey: ZXYDAEQGASXIIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.692253
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0831656
• LogD (pH = 7.4): 3.0841615
• Log P: 3.0841744
• Molar Refractivity: 112.243 cm^3
• Polarizability: 42.915413 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.73
• LOG S: -5.38
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5