methyl (2R,4S)-4-hydroxy-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine-2-carboxylate

• ChemBase ID: 521645
• Molecular Formular: C15H17N3O4
• Molecular Mass: 303.31318
• Monoisotopic Mass: 303.12190604
• SMILES: c1(C(=O)N2[C@@H](C(=O)OC)C[C@H](CC2)O)c2n(nc1)cccc2
• Canonical SMILES: COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C15H17N3O4/c1-22-15(21)13-8-10(19)5-7-17(13)14(20)11-9-16-18-6-3-2-4-12(11)18/h2-4,6,9-10,13,19H,5,7-8H2,1H3/t10-,13+/m0/s1
• InChIKey: LVXHGJYUYAWKCF-GXFFZTMASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R,4S)-4-hydroxy-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine-2-carboxylate
• IUPAC Traditional name: methyl (2R,4S)-4-hydroxy-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine-2-carboxylate
• Synonyms: methyl (2R*,4S*)-4-hydroxy-1-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)piperidine-2-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.14631
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.044941902
• LogD (pH = 7.4): -0.04493148
• Log P: -0.044931337
• Molar Refractivity: 89.173 cm^3
• Polarizability: 30.39081 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.2
• LOG S: -2.55
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 3