1-methyl-4-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine

• ChemBase ID: 571323
• Molecular Formular: C15H22N4
• Molecular Mass: 258.36198
• Monoisotopic Mass: 258.18444672
• SMILES: n1(c(nc2c1nccc2)CCC)C1CCN(CC1)C
• Canonical SMILES: CCCc1nc2c(n1C1CCN(CC1)C)nccc2
• InChI: InChI=1S/C15H22N4/c1-3-5-14-17-13-6-4-9-16-15(13)19(14)12-7-10-18(2)11-8-12/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3
• InChIKey: QWTUZTFVBDETEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine
• IUPAC Traditional name: 1-methyl-4-{2-propylimidazo[4,5-b]pyridin-3-yl}piperidine
• Synonyms: 3-(1-methyl-4-piperidinyl)-2-propyl-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2699316
• LogD (pH = 7.4): 0.3274777
• Log P: 1.927945
• Molar Refractivity: 76.7806 cm^3
• Polarizability: 30.316046 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.68
• LOG S: -2.43
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 1