N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(oxolan-2-yl)thiophene-2-carboxamide

• ChemBase ID: 824262
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: c12n(c(cn1)CNC(=O)c1sc(cc1)C1OCCC1)cccc2C
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C18H19N3O2S/c1-12-4-2-8-21-13(10-19-17(12)21)11-20-18(22)16-7-6-15(24-16)14-5-3-9-23-14/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,20,22)
• InChIKey: OPLATMYYJOANSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.88653
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6157507
• LogD (pH = 7.4): 2.3343513
• Log P: 2.3784235
• Molar Refractivity: 94.8951 cm^3
• Polarizability: 35.33258 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.34
• LOG S: -3.69
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4