1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 610285
• Molecular Formular: C21H23N3O2
• Molecular Mass: 349.42622
• Monoisotopic Mass: 349.17902699
• SMILES: c1(n2c(nc1C)cccc2)CC(=O)N1C(c2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)C1CCCN1C(=O)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C21H23N3O2/c1-15-19(23-11-4-3-10-20(23)22-15)14-21(25)24-12-6-9-18(24)16-7-5-8-17(13-16)26-2/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3
• InChIKey: WOHNHRSPJXTUIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 3-{2-[2-(3-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}-2-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4009316
• LogD (pH = 7.4): 2.0956511
• Log P: 2.121445
• Molar Refractivity: 101.6156 cm^3
• Polarizability: 38.685196 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.97
• LOG S: -4.28
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4