3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

• ChemBase ID: 706876
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1c(ccs1)C)CCOC)cccc2
• Canonical SMILES: COCCN(C(=O)CCc1nc2n(c1)cccc2)Cc1sccc1C
• InChI: InChI=1S/C19H23N3O2S/c1-15-8-12-25-17(15)14-22(10-11-24-2)19(23)7-6-16-13-21-9-4-3-5-18(21)20-16/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3
• InChIKey: JXVCLAWAMPRVAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7206153
• LogD (pH = 7.4): 2.4326203
• Log P: 2.4599922
• Molar Refractivity: 100.624 cm^3
• Polarizability: 38.084087 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.59
• LOG S: -4.02
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 8