N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyridin-2-ylsulfanyl)propanamide

• ChemBase ID: 533643
• Molecular Formular: C15H18N4OS
• Molecular Mass: 302.39462
• Monoisotopic Mass: 302.12013222
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(Sc1ncccc1)C
• Canonical SMILES: O=C(C(Sc1ccccn1)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H18N4OS/c1-11(21-14-7-2-4-8-16-14)15(20)18-13-10-17-12-6-3-5-9-19(12)13/h2,4,7-8,10-11H,3,5-6,9H2,1H3,(H,18,20)
• InChIKey: YESMYBBCBMNFNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyridin-2-ylsulfanyl)propanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyridin-2-ylsulfanyl)propanamide
• Synonyms: 2-(pyridin-2-ylthio)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.457159
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4594389
• LogD (pH = 7.4): 2.1072283
• Log P: 2.1370971
• Molar Refractivity: 85.0187 cm^3
• Polarizability: 32.10837 Å^3
• Polar Surface Area: 59.81 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: 1.82
• LOG S: -2.96
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4