2-ethyl-9-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 515179
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCC2(CN(C(=O)CC2)CC)CC1
• Canonical SMILES: CCN1CC2(CCN(CC2)C(=O)c2cn3c(n2)nccc3)CCC1=O
• InChI: InChI=1S/C18H23N5O2/c1-2-21-13-18(5-4-15(21)24)6-10-22(11-7-18)16(25)14-12-23-9-3-8-19-17(23)20-14/h3,8-9,12H,2,4-7,10-11,13H2,1H3
• InChIKey: CYSGFDLKZFWYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-9-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-ethyl-9-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-ethyl-9-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.26752314
• LogD (pH = 7.4): -0.2675112
• Log P: -0.26751104
• Molar Refractivity: 95.2001 cm^3
• Polarizability: 35.29256 Å^3
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.23
• LOG S: -2.8
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 2