2-(2-methoxyethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 697440
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c12n(cc(n1)CN1CC3(CN(C(=O)CC3)CCOC)CCC1)cccc2C
• Canonical SMILES: COCCN1CC2(CCCN(C2)Cc2cn3c(n2)c(C)ccc3)CCC1=O
• InChI: InChI=1S/C21H30N4O2/c1-17-5-3-10-24-14-18(22-20(17)24)13-23-9-4-7-21(15-23)8-6-19(26)25(16-21)11-12-27-2/h3,5,10,14H,4,6-9,11-13,15-16H2,1-2H3
• InChIKey: HRQZQOCDSUENLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.87371886
• LogD (pH = 7.4): 0.801475
• Log P: 1.2893147
• Molar Refractivity: 107.0497 cm^3
• Polarizability: 40.95698 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.68
• LOG S: -3.34
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5