2-methyl-9-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenyl-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 414633
• Molecular Formular: C25H30N4O
• Molecular Mass: 402.5319
• Monoisotopic Mass: 402.2419616
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CCC2(CC(CN(C2)C)c2ccccc2)CC1
• Canonical SMILES: CN1CC(CC2(C1)CCN(CC2)C(=O)c1cn2c(n1)cccc2C)c1ccccc1
• InChI: InChI=1S/C25H30N4O/c1-19-7-6-10-23-26-22(17-29(19)23)24(30)28-13-11-25(12-14-28)15-21(16-27(2)18-25)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3
• InChIKey: CCELZQFVLMHBPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-9-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenyl-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-methyl-9-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenyl-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-methyl-9-[(5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.37502763
• LogD (pH = 7.4): 1.0113401
• Log P: 2.9781737
• Molar Refractivity: 121.6891 cm^3
• Polarizability: 45.90066 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.28
• LOG S: -4.94
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2