7-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 626037
• Molecular Formular: C21H25N5
• Molecular Mass: 347.4567
• Monoisotopic Mass: 347.21099583
• SMILES: c1(n2c(nc1c1ccccc1)nccc2)CN1CC2(CNCC2)CCC1
• Canonical SMILES: c1ccc(cc1)c1nc2n(c1CN1CCCC3(C1)CNCC3)cccn2
• InChI: InChI=1S/C21H25N5/c1-2-6-17(7-3-1)19-18(26-13-5-10-23-20(26)24-19)14-25-12-4-8-21(16-25)9-11-22-15-21/h1-3,5-7,10,13,22H,4,8-9,11-12,14-16H2
• InChIKey: HALVOMWADJUDOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5220563
• LogD (pH = 7.4): -1.730033
• Log P: 1.8665029
• Molar Refractivity: 105.4609 cm^3
• Polarizability: 41.584087 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.12
• LOG S: -2.54
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 3