N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 449651
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCCS(=O)(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C14H18N4O3S/c19-14(12-11-17-7-2-1-5-13(17)16-12)15-6-10-22(20,21)18-8-3-4-9-18/h1-2,5,7,11H,3-4,6,8-10H2,(H,15,19)
• InChIKey: BFAPMOHSIVMISS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.662353
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.48629138
• LogD (pH = 7.4): -0.48177746
• Log P: -0.48171952
• Molar Refractivity: 83.0956 cm^3
• Polarizability: 31.836248 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.76
• LOG S: -2.2
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4