(3R,4R)-4-ethyl-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine-3,4-diol

• ChemBase ID: 675940
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1C[C@H]([C@@](CC1)(O)CC)O
• Canonical SMILES: CC[C@@]1(O)CCN(C[C@H]1O)C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C15H19N3O3/c1-2-15(21)7-9-17(10-13(15)19)14(20)12-5-3-4-11-6-8-16-18(11)12/h3-6,8,13,19,21H,2,7,9-10H2,1H3/t13-,15-/m1/s1
• InChIKey: DTRACDCAYJWPNG-UKRRQHHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-ethyl-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine-3,4-diol
• IUPAC Traditional name: (3R,4R)-4-ethyl-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine-3,4-diol
• Synonyms: (3R*,4R*)-4-ethyl-1-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)piperidine-3,4-diol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.381497
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15198597
• LogD (pH = 7.4): 0.15203938
• Log P: 0.15204051
• Molar Refractivity: 88.7108 cm^3
• Polarizability: 30.208418 Å^3
• Polar Surface Area: 78.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.19
• LOG S: -2.46
• Polar Surface Area: 78.07 Å^2
• Rotatable Bonds: 2