N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 317921
• Molecular Formular: C21H24FN3O2
• Molecular Mass: 369.4325632
• Monoisotopic Mass: 369.18525524
• SMILES: [nH]1c2c(c(c1CC)C)cc(cc2CNC(=O)CCn1c(=O)cccc1C)F
• Canonical SMILES: CCc1[nH]c2c(c1C)cc(cc2CNC(=O)CCn1c(C)cccc1=O)F
• InChI: InChI=1S/C21H24FN3O2/c1-4-18-14(3)17-11-16(22)10-15(21(17)24-18)12-23-19(26)8-9-25-13(2)6-5-7-20(25)27/h5-7,10-11,24H,4,8-9,12H2,1-3H3,(H,23,26)
• InChIKey: JGZDBKJBUBHKFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.137817
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7757823
• LogD (pH = 7.4): 2.7757823
• Log P: 2.7757823
• Molar Refractivity: 106.8944 cm^3
• Polarizability: 40.1632 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.75
• LOG S: -4.24
• Polar Surface Area: 66.89 Å^2
• Rotatable Bonds: 6