2-(2-methoxyethyl)-8-{2-methylimidazo[1,2-a]pyridine-3-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 340399
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: c1(n2c(nc1C)cccc2)C(=O)N1CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)c2c(C)nc3n2cccc3)CCC1=O
• InChI: InChI=1S/C21H28N4O3/c1-16-19(25-11-4-3-6-17(25)22-16)20(27)24-10-5-8-21(15-24)9-7-18(26)23(14-21)12-13-28-2/h3-4,6,11H,5,7-10,12-15H2,1-2H3
• InChIKey: ONPFUPNZAAPDMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.03617708
• LogD (pH = 7.4): 0.10148456
• Log P: 0.102388434
• Molar Refractivity: 107.3288 cm^3
• Polarizability: 40.45942 Å^3
• Polar Surface Area: 67.15 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: 1.06
• LOG S: -2.91
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4