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

• ChemBase ID: 782389
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)c1nc3n(c1)cccn3)CCC2
• Canonical SMILES: O=C1N(C)c2c(C31CCCN(C3)C(=O)c1cn3c(n1)nccc3)cccc2
• InChI: InChI=1S/C20H19N5O2/c1-23-16-7-3-2-6-14(16)20(18(23)27)8-4-10-25(13-20)17(26)15-12-24-11-5-9-21-19(24)22-15/h2-3,5-7,9,11-12H,4,8,10,13H2,1H3
• InChIKey: YPIMBVXRSCWFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7350843
• LogD (pH = 7.4): 0.73509604
• Log P: 0.73509616
• Molar Refractivity: 101.4485 cm^3
• Polarizability: 37.48758 Å^3
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.85
• LOG S: -2.56
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 1