1-{2-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 767614
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: c12n(cc(n1)CN1C(CCN3C(=O)CCC3)CCCC1)cccc2C
• Canonical SMILES: O=C1CCCN1CCC1CCCCN1Cc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C20H28N4O/c1-16-6-4-12-24-15-17(21-20(16)24)14-23-10-3-2-7-18(23)9-13-22-11-5-8-19(22)25/h4,6,12,15,18H,2-3,5,7-11,13-14H2,1H3
• InChIKey: OZXNXOBUTNAWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(8-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): -0.57011855
• LogD (pH = 7.4): 1.1407121
• Log P: 1.7384742
• Molar Refractivity: 100.8613 cm^3
• Polarizability: 38.42304 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