3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyrrolidine-1-sulfonyl)ethyl]propanamide

• ChemBase ID: 719648
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: S(=O)(=O)(N1CCCC1)CCNC(=O)CCc1nc2n(c1)cccc2
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C16H22N4O3S/c21-16(17-8-12-24(22,23)20-10-3-4-11-20)7-6-14-13-19-9-2-1-5-15(19)18-14/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,17,21)
• InChIKey: ZZPNBIBHHRTCHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyrrolidine-1-sulfonyl)ethyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyrrolidine-1-sulfonyl)ethyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.278837
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3082986
• LogD (pH = 7.4): -0.5962919
• Log P: -0.56891984
• Molar Refractivity: 91.6962 cm^3
• Polarizability: 35.696426 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -2.23
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 6