N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methoxy-5-methylthiophene-2-carboxamide

• ChemBase ID: 417936
• Molecular Formular: C14H17N3O2S
• Molecular Mass: 291.36868
• Monoisotopic Mass: 291.1041478
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(cc(s1)C)OC
• Canonical SMILES: COc1cc(sc1C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C14H17N3O2S/c1-9-7-10(19-2)13(20-9)14(18)16-12-8-15-11-5-3-4-6-17(11)12/h7-8H,3-6H2,1-2H3,(H,16,18)
• InChIKey: NRVMIXXFOPYHDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.85606
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7971739
• LogD (pH = 7.4): 2.4273672
• Log P: 2.455335
• Molar Refractivity: 79.0427 cm^3
• Polarizability: 29.22839 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.6
• LOG S: -2.69
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3