(1S,5R)-3-benzyl-6-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,6-diazabicyclo[3.2.2]nonane

• ChemBase ID: 710372
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1[C@H]2CN(C[C@@H](C1)CC2)Cc1ccccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)Cc1ccccc1
• InChI: InChI=1S/C23H26N4O/c1-17-7-10-22-24-21(16-26(22)11-17)23(28)27-14-19-8-9-20(27)15-25(13-19)12-18-5-3-2-4-6-18/h2-7,10-11,16,19-20H,8-9,12-15H2,1H3/t19-,20+/m0/s1
• InChIKey: QGKAPTVZCUSMQQ-VQTJNVASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,5R)-3-benzyl-6-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,6-diazabicyclo[3.2.2]nonane
• IUPAC Traditional name: (1S,5R)-3-benzyl-6-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,6-diazabicyclo[3.2.2]nonane
• Synonyms: 2-{[(1S*,5R*)-3-benzyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.35032213
• LogD (pH = 7.4): 2.1251023
• Log P: 3.0984924
• Molar Refractivity: 111.9615 cm^3
• Polarizability: 42.287926 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.63
• LOG S: -4.18
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3