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

• ChemBase ID: 537105
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1ncccc1)CC1OCCC1)cccc2
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H24N4O2/c26-21(10-9-18-15-24-12-4-2-8-20(24)23-18)25(16-19-7-5-13-27-19)14-17-6-1-3-11-22-17/h1-4,6,8,11-12,15,19H,5,7,9-10,13-14,16H2
• InChIKey: MJWOKFUIHSOILI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6059918
• LogD (pH = 7.4): 1.335454
• Log P: 1.3630534
• Molar Refractivity: 103.225 cm^3
• Polarizability: 39.72316 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.31
• LOG S: -1.68
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 7