4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-oxobutanamide

• ChemBase ID: 531196
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c12n(cc(n1)CNC(=O)CCC(=O)N1CCC3(CC1)OCCO3)ccc(c2)C
• Canonical SMILES: O=C(NCc1cn2c(n1)cc(cc2)C)CCC(=O)N1CCC2(CC1)OCCO2
• InChI: InChI=1S/C20H26N4O4/c1-15-4-7-24-14-16(22-17(24)12-15)13-21-18(25)2-3-19(26)23-8-5-20(6-9-23)27-10-11-28-20/h4,7,12,14H,2-3,5-6,8-11,13H2,1H3,(H,21,25)
• InChIKey: MEVHRGPIPVPWND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-oxobutanamide
• IUPAC Traditional name: 4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-oxobutanamide
• Synonyms: 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.145517
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.12690312
• LogD (pH = 7.4): 0.4130636
• Log P: 0.42812037
• Molar Refractivity: 102.7793 cm^3
• Polarizability: 39.545025 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.14
• LOG S: -3.67
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 5