(2R,3S,6R)-5-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane

• ChemBase ID: 844822
• Molecular Formular: C24H28N4
• Molecular Mass: 372.50592
• Monoisotopic Mass: 372.23139692
• SMILES: N1([C@H]2[C@@H]([C@H](C1)c1ccccc1)N1CCC2CC1)Cc1nc2n(c1)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CN1C[C@@H]([C@@H]2[C@H]1C1CCN2CC1)c1ccccc1
• InChI: InChI=1S/C24H28N4/c1-17-7-10-27-14-20(25-22(27)13-17)15-28-16-21(18-5-3-2-4-6-18)24-23(28)19-8-11-26(24)12-9-19/h2-7,10,13-14,19,21,23-24H,8-9,11-12,15-16H2,1H3/t21-,23-,24-/m1/s1
• InChIKey: DRCQWKYCULTKSE-GMKZXUHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,6R)-5-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,5-diazatricyclo[5.2.2.0^2,^6]undecane
• IUPAC Traditional name: (2R,3S,6R)-5-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,5-diazatricyclo[5.2.2.0^2,^6]undecane
• Synonyms: (2R*,3S*,6R*)-5-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,5-diazatricyclo[5.2.2.0~2,6~]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5130768
• LogD (pH = 7.4): 1.1273353
• Log P: 3.232818
• Molar Refractivity: 114.0464 cm^3
• Polarizability: 43.882687 Å^3
• Polar Surface Area: 23.78 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: 3.27
• LOG S: -3.7
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 3