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

• ChemBase ID: 732839
• Molecular Formular: C18H21N5OS
• Molecular Mass: 355.45724
• Monoisotopic Mass: 355.14668132
• SMILES: n1(c(nc2c1nccc2)CCC)C1CCN(C(=O)c2scnc2)CC1
• Canonical SMILES: CCCc1nc2c(n1C1CCN(CC1)C(=O)c1cncs1)nccc2
• InChI: InChI=1S/C18H21N5OS/c1-2-4-16-21-14-5-3-8-20-17(14)23(16)13-6-9-22(10-7-13)18(24)15-11-19-12-25-15/h3,5,8,11-13H,2,4,6-7,9-10H2,1H3
• InChIKey: LYHPAJUTSYZKMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-(1,3-thiazole-5-carbonyl)piperidine
• IUPAC Traditional name: 4-{2-propylimidazo[4,5-b]pyridin-3-yl}-1-(1,3-thiazole-5-carbonyl)piperidine
• Synonyms: 2-propyl-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): 1.7992461
• LogD (pH = 7.4): 1.8002335
• Log P: 1.800246
• Molar Refractivity: 96.7148 cm^3
• Polarizability: 37.248825 Å^3
• Polar Surface Area: 63.91 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: 1.22
• LOG S: -4.06
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2