N-(1-{1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-pyrazol-5-yl)acetamide

• ChemBase ID: 641631
• Molecular Formular: C18H21N7O2
• Molecular Mass: 367.40504
• Monoisotopic Mass: 367.17567295
• SMILES: c1(n(ncc1)C1CCN(c2ncc(c3nc(no3)C)cc2)CC1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)c1ccc(cn1)c1onc(n1)C
• InChI: InChI=1S/C18H21N7O2/c1-12-21-18(27-23-12)14-3-4-16(19-11-14)24-9-6-15(7-10-24)25-17(5-8-20-25)22-13(2)26/h3-5,8,11,15H,6-7,9-10H2,1-2H3,(H,22,26)
• InChIKey: COLAKAZPOSPNBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-pyrazol-5-yl)acetamide
• IUPAC Traditional name: N-(2-{1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}pyrazol-3-yl)acetamide
• Synonyms: N-(1-{1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613112
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3433667
• LogD (pH = 7.4): 1.4266524
• Log P: 1.4278302
• Molar Refractivity: 123.526 cm^3
• Polarizability: 37.446514 Å^3
• Polar Surface Area: 101.97 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: 1.29
• LOG S: -2.98
• Polar Surface Area: 101.97 Å^2
• Rotatable Bonds: 4