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

• ChemBase ID: 404747
• Molecular Formular: C25H25N5O2
• Molecular Mass: 427.4983
• Monoisotopic Mass: 427.20082507
• SMILES: n12c(ncc1CNC(=O)CC1N(Cc3c4c(ccc3)cccc4)CCNC1=O)cccc2
• Canonical SMILES: O=C(CC1C(=O)NCCN1Cc1cccc2c1cccc2)NCc1cnc2n1cccc2
• InChI: InChI=1S/C25H25N5O2/c31-24(28-16-20-15-27-23-10-3-4-12-30(20)23)14-22-25(32)26-11-13-29(22)17-19-8-5-7-18-6-1-2-9-21(18)19/h1-10,12,15,22H,11,13-14,16-17H2,(H,26,32)(H,28,31)
• InChIKey: GHLKMDABGQFLMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.106904
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.826043
• LogD (pH = 7.4): 1.1857116
• Log P: 1.4017748
• Molar Refractivity: 123.5021 cm^3
• Polarizability: 48.334362 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.06
• LOG S: -2.12
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 6