2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 821708
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: c12nc(cn1ccc(c2)C)CN1CC2(C(=O)N(CCC2)CCC)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)Cc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C20H28N4O/c1-3-8-23-9-4-6-20(19(23)25)7-11-22(15-20)13-17-14-24-10-5-16(2)12-18(24)21-17/h5,10,12,14H,3-4,6-9,11,13,15H2,1-2H3
• InChIKey: TYYWROBXRKWLBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7494034
• LogD (pH = 7.4): 0.9824602
• Log P: 2.1270788
• Molar Refractivity: 100.8836 cm^3
• Polarizability: 38.423412 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.53
• LOG S: -3.84
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4