8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 420613
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c12n(c(CC(=O)N3CCC4(OC(=O)NC4)CCC3)cn1)cccc2C
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H22N4O3/c1-13-4-2-8-22-14(11-19-16(13)22)10-15(23)21-7-3-5-18(6-9-21)12-20-17(24)25-18/h2,4,8,11H,3,5-7,9-10,12H2,1H3,(H,20,24)
• InChIKey: VAFCUYDGJWXXGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.947753
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4042215
• LogD (pH = 7.4): 0.33875406
• Log P: 0.39005172
• Molar Refractivity: 92.7927 cm^3
• Polarizability: 35.154964 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.43
• LOG S: -2.92
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 2