3-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,9-diazaspiro[5.5]undecane

• ChemBase ID: 616808
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CCC2(CC1)CCNCC2
• Canonical SMILES: O=C(c1cn2c(n1)cccc2C)N1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C18H24N4O/c1-14-3-2-4-16-20-15(13-22(14)16)17(23)21-11-7-18(8-12-21)5-9-19-10-6-18/h2-4,13,19H,5-12H2,1H3
• InChIKey: GRLJROBNKXDSBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 3-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-3,9-diazaspiro[5.5]undecane
• Synonyms: 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2954946
• LogD (pH = 7.4): -1.8173672
• Log P: 0.9404416
• Molar Refractivity: 91.9818 cm^3
• Polarizability: 34.533268 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.07
• LOG S: -2.39
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 1