N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 323130
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)N[C@H]1[C@H](O)CNCC1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C19H20N4O2/c24-17-10-20-9-8-15(17)22-19(25)14-6-7-18-21-16(12-23(18)11-14)13-4-2-1-3-5-13/h1-7,11-12,15,17,20,24H,8-10H2,(H,22,25)/t15-,17-/m1/s1
• InChIKey: RDBWLAHAGYEVTQ-NVXWUHKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.961836
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5272746
• LogD (pH = 7.4): -1.1704327
• Log P: 0.820405
• Molar Refractivity: 95.9292 cm^3
• Polarizability: 37.697388 Å^3
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.96
• LOG S: -2.47
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3