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

• ChemBase ID: 584085
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(n2c(nc1c1ccccc1)cccc2)CN1CCC2(CC(=O)NC2)CC1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)Cc1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C22H24N4O/c27-20-14-22(16-23-20)9-12-25(13-10-22)15-18-21(17-6-2-1-3-7-17)24-19-8-4-5-11-26(18)19/h1-8,11H,9-10,12-16H2,(H,23,27)
• InChIKey: POZCAKOHLCRXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.5081625
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3988566
• LogD (pH = 7.4): 0.25308976
• Log P: 1.8703216
• Molar Refractivity: 106.7852 cm^3
• Polarizability: 42.117992 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -3.28
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3