5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 477049
• Molecular Formular: C19H22N4O3S
• Molecular Mass: 386.46798
• Monoisotopic Mass: 386.14126158
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)NCCCNS(=O)(=O)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCNC(=O)c1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C19H22N4O3S/c1-14-7-9-16(10-8-14)27(25,26)21-12-4-11-20-19(24)17-13-23-15(2)5-3-6-18(23)22-17/h3,5-10,13,21H,4,11-12H2,1-2H3,(H,20,24)
• InChIKey: GIOBQYRBELTXLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.403886
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6189947
• LogD (pH = 7.4): 1.6236407
• Log P: 1.6240863
• Molar Refractivity: 105.7394 cm^3
• Polarizability: 40.071087 Å^3
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.6
• LOG S: -4.24
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 6