8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 783530
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c12nc(cn1ccc(c2)C)CN1CCC2(NC(=O)C(C2)c2ccccc2)CC1
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)Cc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C23H26N4O/c1-17-7-10-27-16-19(24-21(27)13-17)15-26-11-8-23(9-12-26)14-20(22(28)25-23)18-5-3-2-4-6-18/h2-7,10,13,16,20H,8-9,11-12,14-15H2,1H3,(H,25,28)
• InChIKey: TZILTWJBWOIRKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118758
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13183957
• LogD (pH = 7.4): 1.7677832
• Log P: 2.1534257
• Molar Refractivity: 111.2781 cm^3
• Polarizability: 42.498466 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.5
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3