1'-(2-{imidazo[1,2-a]pyridin-3-yl}acetyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 705492
• Molecular Formular: C21H20N4O2
• Molecular Mass: 360.4091
• Monoisotopic Mass: 360.1586259
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)Cc1n3c(nc1)cccc3)CCC2
• Canonical SMILES: O=C(N1CCCC2(C1)C(=O)Nc1c2cccc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C21H20N4O2/c26-19(12-15-13-22-18-8-3-4-11-25(15)18)24-10-5-9-21(14-24)16-6-1-2-7-17(16)23-20(21)27/h1-4,6-8,11,13H,5,9-10,12,14H2,(H,23,27)
• InChIKey: SXRGLQAFIONZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(2-{imidazo[1,2-a]pyridin-3-yl}acetyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-(2-{imidazo[1,2-a]pyridin-3-yl}acetyl)-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(imidazo[1,2-a]pyridin-3-ylacetyl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179134
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.660535
• LogD (pH = 7.4): 1.3075091
• Log P: 1.3376008
• Molar Refractivity: 103.7803 cm^3
• Polarizability: 38.555634 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.26
• LOG S: -3.76
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 2