ethyl 1-{pyrazolo[1,5-a]pyridine-7-amido}piperidine-3-carboxylate

• ChemBase ID: 347872
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NN1CC(C(=O)OCC)CCC1
• Canonical SMILES: CCOC(=O)C1CCCN(C1)NC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C16H20N4O3/c1-2-23-16(22)12-5-4-10-19(11-12)18-15(21)14-7-3-6-13-8-9-17-20(13)14/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,18,21)
• InChIKey: IDCKZTZRFVTFNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-{pyrazolo[1,5-a]pyridine-7-amido}piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-{pyrazolo[1,5-a]pyridine-7-amido}piperidine-3-carboxylate
• Synonyms: ethyl 1-[(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)amino]piperidine-3-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.274638
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87476623
• LogD (pH = 7.4): 0.874838
• Log P: 0.874839
• Molar Refractivity: 95.7728 cm^3
• Polarizability: 33.00325 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.06
• LOG S: -2.41
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5