N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 788752
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: S(=O)(=O)(N1CCCC1)CCNC(=O)c1cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C14H18N4O3S/c19-14(12-3-4-13-15-5-9-17(13)11-12)16-6-10-22(20,21)18-7-1-2-8-18/h3-5,9,11H,1-2,6-8,10H2,(H,16,19)
• InChIKey: WSHZJDMBXTYTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.260247
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5000035
• LogD (pH = 7.4): -0.89250076
• Log P: -0.86756986
• Molar Refractivity: 83.4676 cm^3
• Polarizability: 31.829887 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: 0.4
• LOG S: -1.89
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4