N-(1H-indazol-7-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

• ChemBase ID: 408125
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: C(=O)(N1CCC(Cc2nc(no2)C)CC1)Nc1c2[nH]ncc2ccc1
• Canonical SMILES: O=C(N1CCC(CC1)Cc1onc(n1)C)Nc1cccc2c1[nH]nc2
• InChI: InChI=1S/C17H20N6O2/c1-11-19-15(25-22-11)9-12-5-7-23(8-6-12)17(24)20-14-4-2-3-13-10-18-21-16(13)14/h2-4,10,12H,5-9H2,1H3,(H,18,21)(H,20,24)
• InChIKey: DOMJOBDBDOAGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-7-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(1H-indazol-7-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• Synonyms: N-1H-indazol-7-yl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.485628
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8563948
• LogD (pH = 7.4): 1.8560787
• Log P: 1.8564254
• Molar Refractivity: 95.4587 cm^3
• Polarizability: 35.53787 Å^3
• Polar Surface Area: 99.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.83
• LOG S: -2.38
• Polar Surface Area: 99.94 Å^2
• Rotatable Bonds: 3