2-{imidazo[1,2-a]pyridin-3-yl}-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethan-1-one

• ChemBase ID: 502824
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: n12c(CC(=O)N3C[C@@H]4N(C[C@H](C3)CC4)Cc3ncccc3)cnc1cccc2
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)Cc1ccccn1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C22H25N5O/c28-22(11-20-12-24-21-6-2-4-10-27(20)21)26-14-17-7-8-19(16-26)25(13-17)15-18-5-1-3-9-23-18/h1-6,9-10,12,17,19H,7-8,11,13-16H2/t17-,19-/m1/s1
• InChIKey: UDXGVOFCMFIGEF-IEBWSBKVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-3-yl}-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethan-1-one
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-3-yl}-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
• Synonyms: 3-{2-oxo-2-[(1R*,5R*)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]ethyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3455869
• LogD (pH = 7.4): 0.72475636
• Log P: 0.9631867
• Molar Refractivity: 108.5421 cm^3
• Polarizability: 41.669617 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.26
• LOG S: -1.71
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4