N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 546557
• Molecular Formular: C26H27N3O3S
• Molecular Mass: 461.57588
• Monoisotopic Mass: 461.17731274
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1cc(OCCc2sccc2)ccc1)CC1OCCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N(Cc1cccc(c1)OCCc1cccs1)CC1CCCO1
• InChI: InChI=1S/C26H27N3O3S/c30-26(24-19-28-12-2-1-10-25(28)27-24)29(18-22-8-4-13-31-22)17-20-6-3-7-21(16-20)32-14-11-23-9-5-15-33-23/h1-3,5-7,9-10,12,15-16,19,22H,4,8,11,13-14,17-18H2
• InChIKey: WAFUELDHEKAEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(tetrahydro-2-furanylmethyl)-N-{3-[2-(2-thienyl)ethoxy]benzyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.350322
• LogD (pH = 7.4): 4.354742
• Log P: 4.354799
• Molar Refractivity: 130.1346 cm^3
• Polarizability: 49.25959 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.58
• LOG S: -6.27
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 9