4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-(thiophen-3-ylmethyl)piperidine

• ChemBase ID: 436836
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(Cc2cscc2)CC1)C1OCCC1
• Canonical SMILES: C1COC(C1)c1nc2c(n1C1CCN(CC1)Cc1cscc1)nccc2
• InChI: InChI=1S/C20H24N4OS/c1-3-17-19(21-8-1)24(20(22-17)18-4-2-11-25-18)16-5-9-23(10-6-16)13-15-7-12-26-14-15/h1,3,7-8,12,14,16,18H,2,4-6,9-11,13H2
• InChIKey: JVEZPCXBWOEGIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-(thiophen-3-ylmethyl)piperidine
• IUPAC Traditional name: 4-[2-(oxolan-2-yl)imidazo[4,5-b]pyridin-3-yl]-1-(thiophen-3-ylmethyl)piperidine
• Synonyms: 2-(tetrahydro-2-furanyl)-3-[1-(3-thienylmethyl)-4-piperidinyl]-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.26462066
• LogD (pH = 7.4): 1.4523845
• Log P: 2.7313879
• Molar Refractivity: 103.0108 cm^3
• Polarizability: 40.423817 Å^3
• Polar Surface Area: 43.18 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: 1.9
• LOG S: -3.76
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4