N,1,3,6-tetramethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

• ChemBase ID: 676793
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: c12c(c(C(=O)N(Cc3nc(no3)c3ccccc3)C)cc(n2)C)c(nn1C)C
• Canonical SMILES: Cc1cc(C(=O)N(Cc2onc(n2)c2ccccc2)C)c2c(n1)n(C)nc2C
• InChI: InChI=1S/C20H20N6O2/c1-12-10-15(17-13(2)23-26(4)19(17)21-12)20(27)25(3)11-16-22-18(24-28-16)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
• InChIKey: XSQXRLRXTHZHMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3,6-tetramethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
• IUPAC Traditional name: N,1,3,6-tetramethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• Synonyms: N,1,3,6-tetramethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2495348
• LogD (pH = 7.4): 2.2496607
• Log P: 2.2496624
• Molar Refractivity: 127.1064 cm^3
• Polarizability: 39.87655 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.14
• LOG S: -3.77
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 4