N-[(2S)-2,3-dihydroxypropyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 624403
• Molecular Formular: C17H17N3O3
• Molecular Mass: 311.33518
• Monoisotopic Mass: 311.12699142
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC[C@H](O)CO
• Canonical SMILES: OC[C@H](CNC(=O)c1ccc2n(c1)cc(n2)c1ccccc1)O
• InChI: InChI=1S/C17H17N3O3/c21-11-14(22)8-18-17(23)13-6-7-16-19-15(10-20(16)9-13)12-4-2-1-3-5-12/h1-7,9-10,14,21-22H,8,11H2,(H,18,23)/t14-/m0/s1
• InChIKey: PPJLPBFGPGHADN-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S)-2,3-dihydroxypropyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(2S)-2,3-dihydroxypropyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(2S)-2,3-dihydroxypropyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.783717
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.3555828
• LogD (pH = 7.4): 0.54344684
• Log P: 0.5465045
• Molar Refractivity: 86.9305 cm^3
• Polarizability: 33.829758 Å^3
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.75
• LOG S: -2.11
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 5