2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 508201
• Molecular Formular: C19H23N3OS
• Molecular Mass: 341.47042
• Monoisotopic Mass: 341.15618337
• SMILES: c12n(c(CC(=O)N(Cc3cscc3)CC(C)C)cn1)cccc2C
• Canonical SMILES: CC(CN(C(=O)Cc1cnc2n1cccc2C)Cc1cscc1)C
• InChI: InChI=1S/C19H23N3OS/c1-14(2)11-21(12-16-6-8-24-13-16)18(23)9-17-10-20-19-15(3)5-4-7-22(17)19/h4-8,10,13-14H,9,11-12H2,1-3H3
• InChIKey: WHHHGYPFZKJBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: N-isobutyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4260757
• LogD (pH = 7.4): 3.1690516
• Log P: 3.220348
• Molar Refractivity: 99.2409 cm^3
• Polarizability: 37.385544 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.32
• LOG S: -4.53
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6