N,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 482504
• Molecular Formular: C18H20N6O2
• Molecular Mass: 352.3904
• Monoisotopic Mass: 352.16477391
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N(Cc1nc(no1)c1ccccc1)C
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N(Cc1onc(n1)c1ccccc1)C
• InChI: InChI=1S/C18H20N6O2/c1-23-9-8-14-13(10-23)16(21-20-14)18(25)24(2)11-15-19-17(22-26-15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,20,21)
• InChIKey: JHTKFHVHKDEWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.883875
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.045971047
• LogD (pH = 7.4): 1.455
• Log P: 1.6225538
• Molar Refractivity: 110.0522 cm^3
• Polarizability: 36.739758 Å^3
• Polar Surface Area: 91.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.39
• LOG S: -2.1
• Polar Surface Area: 91.15 Å^2
• Rotatable Bonds: 4