ethyl 2-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate

• ChemBase ID: 401214
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1C(CC(=O)OCC)CCCC1
• Canonical SMILES: CCOC(=O)CC1CCCCN1C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C17H21N3O3/c1-2-23-16(21)12-14-6-3-4-11-19(14)17(22)15-8-5-7-13-9-10-18-20(13)15/h5,7-10,14H,2-4,6,11-12H2,1H3
• InChIKey: WODDVQRZFMHTLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate
• Synonyms: ethyl [1-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)-2-piperidinyl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8489532
• LogD (pH = 7.4): 1.8490071
• Log P: 1.8490078
• Molar Refractivity: 96.8411 cm^3
• Polarizability: 33.40921 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.28
• LOG S: -2.59
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5