4-{2-cyclohexyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-(1-propylpiperidin-4-yl)piperidine

• ChemBase ID: 825927
• Molecular Formular: C25H39N5
• Molecular Mass: 409.61066
• Monoisotopic Mass: 409.32054627
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(C2CCN(CC2)CCC)CC1)C1CCCCC1
• Canonical SMILES: CCCN1CCC(CC1)N1CCC(CC1)n1c(nc2c1nccc2)C1CCCCC1
• InChI: InChI=1S/C25H39N5/c1-2-15-28-16-10-21(11-17-28)29-18-12-22(13-19-29)30-24(20-7-4-3-5-8-20)27-23-9-6-14-26-25(23)30/h6,9,14,20-22H,2-5,7-8,10-13,15-19H2,1H3
• InChIKey: YZSJBHFWSMYFFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-cyclohexyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-(1-propylpiperidin-4-yl)piperidine
• IUPAC Traditional name: 4-{2-cyclohexylimidazo[4,5-b]pyridin-3-yl}-1-(1-propylpiperidin-4-yl)piperidine
• Synonyms: 4-(2-cyclohexyl-3H-imidazo[4,5-b]pyridin-3-yl)-1'-propyl-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7936937
• LogD (pH = 7.4): 0.66944236
• Log P: 3.8024793
• Molar Refractivity: 123.4786 cm^3
• Polarizability: 48.819798 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.98
• LOG S: -4.69
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 3