(2S)-3-hydroxy-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)propanamide

• ChemBase ID: 854588
• Molecular Formular: C17H16N4O3
• Molecular Mass: 324.33394
• Monoisotopic Mass: 324.12224039
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)N[C@H](C(=O)N)CO
• Canonical SMILES: OC[C@@H](C(=O)N)NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C17H16N4O3/c18-16(23)14(10-22)20-17(24)12-6-7-15-19-13(9-21(15)8-12)11-4-2-1-3-5-11/h1-9,14,22H,10H2,(H2,18,23)(H,20,24)/t14-/m0/s1
• InChIKey: XVXVOMFVHRSDAI-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-3-hydroxy-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)propanamide
• IUPAC Traditional name: (2S)-3-hydroxy-2-({2-phenylimidazo[1,2-a]pyridin-6-yl}formamido)propanamide
• Synonyms: N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118495
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.1294861
• LogD (pH = 7.4): 0.056810863
• Log P: 0.059836444
• Molar Refractivity: 88.6201 cm^3
• Polarizability: 34.422623 Å^3
• Polar Surface Area: 109.72 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: 1.2
• LOG S: -2.59
• Polar Surface Area: 109.72 Å^2
• Rotatable Bonds: 5