7-(2-methoxyethyl)-2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 702135
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n12c(nc(cc1=O)CN1CC3(C(=O)N(CCC3)CCOC)CC1)cccc2
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)Cc1cc(=O)n2c(n1)cccc2
• InChI: InChI=1S/C20H26N4O3/c1-27-12-11-23-8-4-6-20(19(23)26)7-10-22(15-20)14-16-13-18(25)24-9-3-2-5-17(24)21-16/h2-3,5,9,13H,4,6-8,10-12,14-15H2,1H3
• InChIKey: FFIOXTOHIHOBNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-({4-oxopyrido[1,2-a]pyrimidin-2-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-{[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.5844088
• LogD (pH = 7.4): -0.8366251
• Log P: 0.30690908
• Molar Refractivity: 105.6751 cm^3
• Polarizability: 39.30513 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.99
• LOG S: -2.75
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5