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

• ChemBase ID: 332531
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1(c(nc2c1nccc2)CCC)C1CCN(C(=O)C2CCC2)CC1
• Canonical SMILES: CCCc1nc2c(n1C1CCN(CC1)C(=O)C1CCC1)nccc2
• InChI: InChI=1S/C19H26N4O/c1-2-5-17-21-16-8-4-11-20-18(16)23(17)15-9-12-22(13-10-15)19(24)14-6-3-7-14/h4,8,11,14-15H,2-3,5-7,9-10,12-13H2,1H3
• InChIKey: QPXOGTRRZXEZJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3782084
• LogD (pH = 7.4): 2.3791916
• Log P: 2.3792043
• Molar Refractivity: 93.052 cm^3
• Polarizability: 36.70067 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.37
• LOG S: -4.01
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 2