1-(benzyloxy)-8-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 410500
• Molecular Formular: C24H26N4O3
• Molecular Mass: 418.48824
• Monoisotopic Mass: 418.20049071
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCC2(N(C(=O)CC2)OCc2ccccc2)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCC2(CC1)CCC(=O)N2OCc1ccccc1
• InChI: InChI=1S/C24H26N4O3/c1-18-8-12-27-16-20(25-21(27)15-18)23(30)26-13-10-24(11-14-26)9-7-22(29)28(24)31-17-19-5-3-2-4-6-19/h2-6,8,12,15-16H,7,9-11,13-14,17H2,1H3
• InChIKey: WSQQDYKJXWMEJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2320614
• LogD (pH = 7.4): 2.236801
• Log P: 2.2368617
• Molar Refractivity: 117.9474 cm^3
• Polarizability: 44.508484 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.7
• LOG S: -3.7
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4