N-[(2S,4R,6S)-2-benzyl-6-{3-methylimidazo[1,5-a]pyridin-1-yl}oxan-4-yl]acetamide

• ChemBase ID: 743286
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(nc(n2c1cccc2)C)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)Cc1ccccc1
• Canonical SMILES: CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@@H](C1)c1nc(n2c1cccc2)C
• InChI: InChI=1S/C22H25N3O2/c1-15-23-22(20-10-6-7-11-25(15)20)21-14-18(24-16(2)26)13-19(27-21)12-17-8-4-3-5-9-17/h3-11,18-19,21H,12-14H2,1-2H3,(H,24,26)/t18-,19+,21+/m1/s1
• InChIKey: TUYFAACQZHYDGK-DYXWJJEUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-benzyl-6-{3-methylimidazo[1,5-a]pyridin-1-yl}oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-benzyl-6-{3-methylimidazo[1,5-a]pyridin-1-yl}oxan-4-yl]acetamide
• Synonyms: N-[(2S*,4R*,6S*)-2-benzyl-6-(3-methylimidazo[1,5-a]pyridin-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.664069
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4275056
• LogD (pH = 7.4): 1.5319775
• Log P: 1.806601
• Molar Refractivity: 105.431 cm^3
• Polarizability: 41.142548 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: 1.53
• LOG S: -3.16
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4