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

• ChemBase ID: 563494
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: n12c(nc(c1)CCC(=O)N(CC1OCCC1)CC1CCC1)cccc2
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCC1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H27N3O2/c24-20(10-9-17-14-22-11-2-1-8-19(22)21-17)23(13-16-5-3-6-16)15-18-7-4-12-25-18/h1-2,8,11,14,16,18H,3-7,9-10,12-13,15H2
• InChIKey: OOLGVIBKTBQEMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2605495
• LogD (pH = 7.4): 1.9725549
• Log P: 1.9999268
• Molar Refractivity: 97.8345 cm^3
• Polarizability: 37.667316 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: 2.08
• LOG S: -3.47
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7