1-(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)pyrrolidin-2-one

• ChemBase ID: 512609
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(C(=O)N2CC(N3C(=O)CCC3)CCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: O=C1CCCN1C1CCCN(C1)C(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C18H22N4O2/c1-13-10-21-11-14(6-7-16(21)19-13)18(24)20-8-2-4-15(12-20)22-9-3-5-17(22)23/h6-7,10-11,15H,2-5,8-9,12H2,1H3
• InChIKey: BUHGFNYGZGDOTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)pyrrolidin-2-one
• IUPAC Traditional name: 1-(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)pyrrolidin-2-one
• Synonyms: 1-{1-[(2-methylimidazo[1,2-a]pyridin-6-yl)carbonyl]piperidin-3-yl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.52333724
• LogD (pH = 7.4): 0.10639169
• Log P: 0.12701838
• Molar Refractivity: 91.7965 cm^3
• Polarizability: 34.230873 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.17
• LOG S: -2.75
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2