3-{5-[1-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

• ChemBase ID: 845213
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c1(C(=O)N2CC(c3nc(no3)c3cnccc3)CCC2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCCC(C1)c1onc(n1)c1cccnc1
• InChI: InChI=1S/C20H24N6O2/c1-3-9-26-14(2)17(12-22-26)20(27)25-10-5-7-16(13-25)19-23-18(24-28-19)15-6-4-8-21-11-15/h4,6,8,11-12,16H,3,5,7,9-10,13H2,1-2H3
• InChIKey: CVUOFUIEZYWECE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[1-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
• IUPAC Traditional name: 3-{5-[1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
• Synonyms: 3-(5-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.072461
• LogD (pH = 7.4): 2.0782144
• Log P: 2.0782883
• Molar Refractivity: 128.2087 cm^3
• Polarizability: 39.77119 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.13
• LOG S: -2.94
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 5