8-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 661508
• Molecular Formular: C25H30N4O2
• Molecular Mass: 418.5313
• Monoisotopic Mass: 418.23687622
• SMILES: c1(nc(n2c1cccc2)C)CN1CCC2(OC(=O)N(CC(c3ccccc3)C)C2)CC1
• Canonical SMILES: CC(c1ccccc1)CN1CC2(OC1=O)CCN(CC2)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C25H30N4O2/c1-19(21-8-4-3-5-9-21)16-28-18-25(31-24(28)30)11-14-27(15-12-25)17-22-23-10-6-7-13-29(23)20(2)26-22/h3-10,13,19H,11-12,14-18H2,1-2H3
• InChIKey: MICLWQKGXVSNAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6470331
• LogD (pH = 7.4): 1.9338531
• Log P: 2.5606816
• Molar Refractivity: 121.9036 cm^3
• Polarizability: 47.54574 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.67
• LOG S: -4.38
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5