N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 364865
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)N(CCCn1nccc1)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c(CC(=O)N(CCCn1cccn1)C)c([nH]2)C
• InChI: InChI=1S/C20H26N4O/c1-14-11-15(2)20-18(12-14)17(16(3)22-20)13-19(25)23(4)8-6-10-24-9-5-7-21-24/h5,7,9,11-12,22H,6,8,10,13H2,1-4H3
• InChIKey: AGQORKQSVZTOGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[3-(pyrazol-1-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.857048
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8659742
• LogD (pH = 7.4): 2.8661087
• Log P: 2.8661103
• Molar Refractivity: 113.1576 cm^3
• Polarizability: 39.497074 Å^3
• Polar Surface Area: 53.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.74
• LOG S: -4.01
• Polar Surface Area: 53.92 Å^2
• Rotatable Bonds: 6