7-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 438397
• Molecular Formular: C17H20N4O3
• Molecular Mass: 328.3657
• Monoisotopic Mass: 328.15354052
• SMILES: c12n(c(CC(=O)N3CC4(OC(=O)NC4)CCC3)cn1)cccc2C
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)C(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C17H20N4O3/c1-12-4-2-7-21-13(9-18-15(12)21)8-14(22)20-6-3-5-17(11-20)10-19-16(23)24-17/h2,4,7,9H,3,5-6,8,10-11H2,1H3,(H,19,23)
• InChIKey: UNMUCPJUHCAFRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.795541
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4641812
• LogD (pH = 7.4): 0.27879378
• Log P: 0.33009198
• Molar Refractivity: 87.9273 cm^3
• Polarizability: 33.321987 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: 1.17
• LOG S: -2.59
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 2