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

• ChemBase ID: 436069
• Molecular Formular: C24H30N4
• Molecular Mass: 374.5218
• Monoisotopic Mass: 374.24704698
• SMILES: n1(c(nc2c1nccc2)CCC)C1CCN(C2Cc3c(CC2)cccc3)CC1
• Canonical SMILES: CCCc1nc2c(n1C1CCN(CC1)C1CCc3c(C1)cccc3)nccc2
• InChI: InChI=1S/C24H30N4/c1-2-6-23-26-22-9-5-14-25-24(22)28(23)20-12-15-27(16-13-20)21-11-10-18-7-3-4-8-19(18)17-21/h3-5,7-9,14,20-21H,2,6,10-13,15-17H2,1H3
• InChIKey: VFQRYINCASFISZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0553893
• LogD (pH = 7.4): 2.1682167
• Log P: 4.4853034
• Molar Refractivity: 113.729 cm^3
• Polarizability: 44.582436 Å^3
• Polar Surface Area: 33.95 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: 4.13
• LOG S: -5.63
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 2