1-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 323729
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c12n(c(CC(=O)N3CC4(OCC3)CNCCOC4)cn1)cccc2C
• Canonical SMILES: O=C(N1CCOC2(C1)CNCCOC2)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H24N4O3/c1-14-3-2-5-22-15(10-20-17(14)22)9-16(23)21-6-8-25-18(12-21)11-19-4-7-24-13-18/h2-3,5,10,19H,4,6-9,11-13H2,1H3
• InChIKey: SWXFTVOTOHOUMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 4-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.165815
• LogD (pH = 7.4): -1.9317209
• Log P: -0.3467388
• Molar Refractivity: 94.2115 cm^3
• Polarizability: 36.14772 Å^3
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.71
• LOG S: -2.32
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 2