2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase ID: 622568
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: C1(=O)Nc2c(C1CC(=O)NCc1c3n(nc1)cccc3)c(cc(c2)C)C
• Canonical SMILES: O=C(CC1C(=O)Nc2c1c(C)cc(c2)C)NCc1cnn2c1cccc2
• InChI: InChI=1S/C20H20N4O2/c1-12-7-13(2)19-15(20(26)23-16(19)8-12)9-18(25)21-10-14-11-22-24-6-4-3-5-17(14)24/h3-8,11,15H,9-10H2,1-2H3,(H,21,25)(H,23,26)
• InChIKey: QORASFUHKNUZFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC Traditional name: 2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• Synonyms: 2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.851705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4372928
• LogD (pH = 7.4): 2.4373477
• Log P: 2.4373498
• Molar Refractivity: 111.7596 cm^3
• Polarizability: 37.94739 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.1
• LOG S: -3.53
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 4