1'-{imidazo[1,2-a]pyridine-3-carbonyl}-1-methyl-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 690413
• Molecular Formular: C21H20N4O2
• Molecular Mass: 360.4091
• Monoisotopic Mass: 360.1586259
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)c1n3c(nc1)cccc3)CCC2
• Canonical SMILES: CN1c2ccccc2C2(C1=O)CCCN(C2)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C21H20N4O2/c1-23-16-8-3-2-7-15(16)21(20(23)27)10-6-11-24(14-21)19(26)17-13-22-18-9-4-5-12-25(17)18/h2-5,7-9,12-13H,6,10-11,14H2,1H3
• InChIKey: OURHXHFBGIGPSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-{imidazo[1,2-a]pyridine-3-carbonyl}-1-methyl-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-{imidazo[1,2-a]pyridine-3-carbonyl}-1-methylspiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-1-methylspiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Log P: 1.2215015
• Molar Refractivity: 102.8448 cm^3
• Polarizability: 38.3489 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.139779
• LogD (pH = 7.4): 1.2203493

供应商提供(Chembridge)

• Log P: 2.07
• LOG S: -3.6
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 1
• H Acceptors: 3
• H Donor: 0