N-[(2S,4R,6S)-2-ethyl-6-{2-phenylimidazo[1,2-a]pyridin-3-yl}oxan-4-yl]acetamide

• ChemBase ID: 594035
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(c(nc2n1cccc2)c1ccccc1)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)CC
• Canonical SMILES: CC[C@H]1C[C@@H](NC(=O)C)C[C@H](O1)c1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-3-18-13-17(23-15(2)26)14-19(27-18)22-21(16-9-5-4-6-10-16)24-20-11-7-8-12-25(20)22/h4-12,17-19H,3,13-14H2,1-2H3,(H,23,26)/t17-,18+,19+/m1/s1
• InChIKey: QXZKHCQKSUOCKK-QYZOEREBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-ethyl-6-{2-phenylimidazo[1,2-a]pyridin-3-yl}oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-ethyl-6-{2-phenylimidazo[1,2-a]pyridin-3-yl}oxan-4-yl]acetamide
• Synonyms: N-[(2S*,4R*,6S*)-2-ethyl-6-(2-phenylimidazo[1,2-a]pyridin-3-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.839953
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4701161
• LogD (pH = 7.4): 2.6150658
• Log P: 2.617292
• Molar Refractivity: 105.5838 cm^3
• Polarizability: 41.99638 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.02
• LOG S: -3.58
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4