N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide

• ChemBase ID: 822219
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: n12c(ncc1CCNC(=O)c1sc(cc1)C1OCCC1)cccc2
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C18H19N3O2S/c22-18(16-7-6-15(24-16)14-4-3-11-23-14)19-9-8-13-12-20-17-5-1-2-10-21(13)17/h1-2,5-7,10,12,14H,3-4,8-9,11H2,(H,19,22)
• InChIKey: OPIKRFNLMGDNAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8842325
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2081593
• LogD (pH = 7.4): 1.8891938
• Log P: 1.9249618
• Molar Refractivity: 94.7193 cm^3
• Polarizability: 35.409824 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.81
• LOG S: -3.23
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5