8-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 743208
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCC2(CN(C(=O)C2)CC(C)C)CC1
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)C(=O)c1cn2c(n1)nccc2)C
• InChI: InChI=1S/C19H25N5O2/c1-14(2)11-24-13-19(10-16(24)25)4-8-22(9-5-19)17(26)15-12-23-7-3-6-20-18(23)21-15/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3
• InChIKey: SLPKLLMNTIWZIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.17540292
• LogD (pH = 7.4): 0.17541535
• Log P: 0.1754155
• Molar Refractivity: 99.5947 cm^3
• Polarizability: 37.127254 Å^3
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.42
• LOG S: -2.15
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 3