2-cyclohexyl-1-{4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 863680
• Molecular Formular: C23H32N4O2
• Molecular Mass: 396.52578
• Monoisotopic Mass: 396.25252628
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(C(=O)CC2CCCCC2)CC1)C1OCCC1
• Canonical SMILES: O=C(N1CCC(CC1)n1c(nc2c1nccc2)C1CCCO1)CC1CCCCC1
• InChI: InChI=1S/C23H32N4O2/c28-21(16-17-6-2-1-3-7-17)26-13-10-18(11-14-26)27-22-19(8-4-12-24-22)25-23(27)20-9-5-15-29-20/h4,8,12,17-18,20H,1-3,5-7,9-11,13-16H2
• InChIKey: ROFRHXIYYOCNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-1-{4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-cyclohexyl-1-{4-[2-(oxolan-2-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethanone
• Synonyms: 3-[1-(cyclohexylacetyl)-4-piperidinyl]-2-(tetrahydro-2-furanyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7554228
• LogD (pH = 7.4): 2.7554703
• Log P: 2.7554708
• Molar Refractivity: 111.3409 cm^3
• Polarizability: 44.10786 Å^3
• Polar Surface Area: 60.25 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: 1.72
• LOG S: -5.07
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4