4-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-(1,3-thiazole-5-carbonyl)piperidine

• ChemBase ID: 738135
• Molecular Formular: C23H23N5OS
• Molecular Mass: 417.52662
• Monoisotopic Mass: 417.16233138
• SMILES: n1(c(nc2c1nccc2)CCc1ccccc1)C1CCN(C(=O)c2scnc2)CC1
• Canonical SMILES: O=C(c1cncs1)N1CCC(CC1)n1c(CCc2ccccc2)nc2c1nccc2
• InChI: InChI=1S/C23H23N5OS/c29-23(20-15-24-16-30-20)27-13-10-18(11-14-27)28-21(9-8-17-5-2-1-3-6-17)26-19-7-4-12-25-22(19)28/h1-7,12,15-16,18H,8-11,13-14H2
• InChIKey: BSPTZRNKQXQUQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-(1,3-thiazole-5-carbonyl)piperidine
• IUPAC Traditional name: 4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]-1-(1,3-thiazole-5-carbonyl)piperidine
• Synonyms: 2-(2-phenylethyl)-3-[1-(1,3-thiazol-5-ylcarbonyl)-4-piperidinyl]-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9330375
• LogD (pH = 7.4): 2.9340372
• Log P: 2.93405
• Molar Refractivity: 116.8098 cm^3
• Polarizability: 44.910275 Å^3
• Polar Surface Area: 63.91 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: 2.11
• LOG S: -5.46
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5