4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidine

• ChemBase ID: 689182
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c1(n2c(nc1C)cccc2)CN1CCC(Cc2nc(no2)C)CC1
• Canonical SMILES: Cc1noc(n1)CC1CCN(CC1)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C18H23N5O/c1-13-16(23-8-4-3-5-17(23)19-13)12-22-9-6-15(7-10-22)11-18-20-14(2)21-24-18/h3-5,8,15H,6-7,9-12H2,1-2H3
• InChIKey: GGXAXRWPASNUAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidine
• IUPAC Traditional name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidine
• Synonyms: 2-methyl-3-({4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}methyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.99613696
• LogD (pH = 7.4): 0.9725595
• Log P: 1.8998188
• Molar Refractivity: 95.0006 cm^3
• Polarizability: 35.126125 Å^3
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.66
• LOG S: -1.98
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 4