1-{2,7-diazaspiro[4.5]decan-2-yl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 600779
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c12n(c(CC(=O)N3CC4(CC3)CNCCC4)cn1)cccc2C
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H24N4O/c1-14-4-2-8-22-15(11-20-17(14)22)10-16(23)21-9-6-18(13-21)5-3-7-19-12-18/h2,4,8,11,19H,3,5-7,9-10,12-13H2,1H3
• InChIKey: WDHDWRVRPRGVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3827734
• LogD (pH = 7.4): -2.0250032
• Log P: 0.63586414
• Molar Refractivity: 91.2652 cm^3
• Polarizability: 34.73905 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.81
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 2