N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide

• ChemBase ID: 380287
• Molecular Formular: C16H20N4O3S2
• Molecular Mass: 380.485
• Monoisotopic Mass: 380.09768252
• SMILES: S(=O)(=O)(c1c(C(=O)Nc2n3c(nc2)CCCC3)scc1)N1CCCC1
• Canonical SMILES: O=C(c1sccc1S(=O)(=O)N1CCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H20N4O3S2/c21-16(18-14-11-17-13-5-1-2-9-20(13)14)15-12(6-10-24-15)25(22,23)19-7-3-4-8-19/h6,10-11H,1-5,7-9H2,(H,18,21)
• InChIKey: XVPNQTNUDLATRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide
• Synonyms: 3-(pyrrolidin-1-ylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.996324
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7656667
• LogD (pH = 7.4): 1.3836201
• Log P: 1.4263258
• Molar Refractivity: 97.0155 cm^3
• Polarizability: 36.955215 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.98
• LOG S: -2.81
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 3