1-{2-[1-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 689759
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: c12nc(cn1ccc(c2)C)CN1C(CCN2C(=O)CCC2)CCCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CN1CCCCC1CCN1CCCC1=O
• InChI: InChI=1S/C20H28N4O/c1-16-7-11-24-15-17(21-19(24)13-16)14-23-9-3-2-5-18(23)8-12-22-10-4-6-20(22)25/h7,11,13,15,18H,2-6,8-10,12,14H2,1H3
• InChIKey: YDHBMRFGGGTOBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[1-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[1-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6315287
• LogD (pH = 7.4): 1.1007041
• Log P: 1.7384742
• Molar Refractivity: 100.8613 cm^3
• Polarizability: 38.423412 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.98
• LOG S: -3.37
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5