N-cyclopropyl-2-(6-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide

• ChemBase ID: 618965
• Molecular Formular: C20H23FN4O2
• Molecular Mass: 370.4206232
• Monoisotopic Mass: 370.18050422
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)CC1C(=O)Nc2c1ccc(c2)F)C1CC1
• Canonical SMILES: Fc1ccc2c(c1)NC(=O)C2CC(=O)N(C1CC1)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C20H23FN4O2/c1-11-17(12(2)24(3)23-11)10-25(14-5-6-14)19(26)9-16-15-7-4-13(21)8-18(15)22-20(16)27/h4,7-8,14,16H,5-6,9-10H2,1-3H3,(H,22,27)
• InChIKey: YDAWCGTYNWJMCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(6-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-N-[(trimethylpyrazol-4-yl)methyl]acetamide
• Synonyms: N-cyclopropyl-2-(6-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.477083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4692327
• LogD (pH = 7.4): 1.4712743
• Log P: 1.471304
• Molar Refractivity: 112.7262 cm^3
• Polarizability: 37.39856 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.32
• LOG S: -4.45
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5