N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[5-oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl]acetamide

• ChemBase ID: 582187
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC1=C(c2sccc2)CCC1=O
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CC1=C(CCC1=O)c1cccs1
• InChI: InChI=1S/C18H19N3O2S/c22-14-7-6-12(15-4-3-9-24-15)13(14)10-18(23)20-17-11-19-16-5-1-2-8-21(16)17/h3-4,9,11H,1-2,5-8,10H2,(H,20,23)
• InChIKey: SUDVHPSDMCJJDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[5-oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl]acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[5-oxo-2-(thiophen-2-yl)cyclopent-1-en-1-yl]acetamide
• Synonyms: 2-[5-oxo-2-(2-thienyl)cyclopent-1-en-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.795078
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.734096
• LogD (pH = 7.4): 2.3831403
• Log P: 2.4135418
• Molar Refractivity: 93.9492 cm^3
• Polarizability: 35.160282 Å^3
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.36
• LOG S: -3.71
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4