7-[(2-fluoro-5-methoxyphenyl)methyl]-2-{imidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 316639
• Molecular Formular: C24H27FN4O2
• Molecular Mass: 422.4951832
• Monoisotopic Mass: 422.21180434
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CC2(CN(Cc3c(ccc(c3)OC)F)CCC2)CC1
• Canonical SMILES: COc1ccc(c(c1)CN1CCCC2(C1)CCN(C2)C(=O)c1nc2n(c1)cccc2)F
• InChI: InChI=1S/C24H27FN4O2/c1-31-19-6-7-20(25)18(13-19)14-27-10-4-8-24(16-27)9-12-29(17-24)23(30)21-15-28-11-3-2-5-22(28)26-21/h2-3,5-7,11,13,15H,4,8-10,12,14,16-17H2,1H3
• InChIKey: BBWDJJLHELVSKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-{imidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-{imidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-fluoro-5-methoxybenzyl)-2-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.57099843
• LogD (pH = 7.4): 2.2623606
• Log P: 2.7006783
• Molar Refractivity: 118.51 cm^3
• Polarizability: 44.544098 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.14
• LOG S: -4.04
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3