3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide

• ChemBase ID: 370520
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1cscc1)CC1OCCC1)cccc2
• Canonical SMILES: O=C(N(Cc1ccsc1)CC1CCCO1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H23N3O2S/c24-20(7-6-17-13-22-9-2-1-5-19(22)21-17)23(12-16-8-11-26-15-16)14-18-4-3-10-25-18/h1-2,5,8-9,11,13,15,18H,3-4,6-7,10,12,14H2
• InChIKey: QVPKGUYFOGCQCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.540319
• LogD (pH = 7.4): 2.252324
• Log P: 2.279696
• Molar Refractivity: 103.0099 cm^3
• Polarizability: 39.278835 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.12
• LOG S: -3.7
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7