2-(2,3-dihydro-1H-inden-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide

• ChemBase ID: 836206
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n12c(nc(c1)CNC(=O)CC1c3c(CC1)cccc3)ccc(c2)C
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C20H21N3O/c1-14-6-9-19-22-17(13-23(19)12-14)11-21-20(24)10-16-8-7-15-4-2-3-5-18(15)16/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,21,24)
• InChIKey: KMOFURLOMKHISU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.544735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1765242
• LogD (pH = 7.4): 2.8874135
• Log P: 2.9146807
• Molar Refractivity: 95.4831 cm^3
• Polarizability: 36.094624 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 3.03
• LOG S: -4.12