N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 617856
• Molecular Formular: C26H27N5O2
• Molecular Mass: 441.52488
• Monoisotopic Mass: 441.21647513
• SMILES: n12c(nc(c1)CCNC(=O)CC1N(Cc3cc4c(cc3)cccc4)CCNC1=O)cccc2
• Canonical SMILES: O=C(CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C26H27N5O2/c32-25(27-11-10-22-18-31-13-4-3-7-24(31)29-22)16-23-26(33)28-12-14-30(23)17-19-8-9-20-5-1-2-6-21(20)15-19/h1-9,13,15,18,23H,10-12,14,16-17H2,(H,27,32)(H,28,33)
• InChIKey: UJWHZXNXTGIZNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[1-(2-naphthylmethyl)-3-oxo-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.171483
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.16891158
• LogD (pH = 7.4): 1.6918699
• Log P: 1.8002583
• Molar Refractivity: 127.8018 cm^3
• Polarizability: 50.179924 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.0
• LOG S: -3.59
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 7