1-{2-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 353699
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C2)CCN1C(=O)CCC1
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)CCN1CCCC1=O
• InChI: InChI=1S/C19H24N4O2/c1-25-15-5-2-4-14(12-15)19-20-16-7-9-22(13-17(16)21-19)10-11-23-8-3-6-18(23)24/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,21)
• InChIKey: SLCHDJMQFHAEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-{2-[2-(3-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.192521
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.286298
• LogD (pH = 7.4): 0.86466515
• Log P: 0.9484734
• Molar Refractivity: 107.0812 cm^3
• Polarizability: 37.69261 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -3.08
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5