1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine

• ChemBase ID: 493134
• Molecular Formular: C19H20FN3OS
• Molecular Mass: 357.4450032
• Monoisotopic Mass: 357.1311115
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1C(CCc2sccc2)CCCC1
• Canonical SMILES: O=C(c1nc2n(c1F)cccc2)N1CCCCC1CCc1cccs1
• InChI: InChI=1S/C19H20FN3OS/c20-18-17(21-16-8-2-4-12-23(16)18)19(24)22-11-3-1-6-14(22)9-10-15-7-5-13-25-15/h2,4-5,7-8,12-14H,1,3,6,9-11H2
• InChIKey: SKSOZBWHDVOPDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine
• IUPAC Traditional name: 1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine
• Synonyms: 3-fluoro-2-({2-[2-(2-thienyl)ethyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7555037
• LogD (pH = 7.4): 3.755575
• Log P: 3.755576
• Molar Refractivity: 97.4318 cm^3
• Polarizability: 36.226974 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.05
• LOG S: -4.41
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4