N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1-(propan-2-yl)piperidine-4-carboxamide

• ChemBase ID: 415141
• Molecular Formular: C18H27N5O
• Molecular Mass: 329.43988
• Monoisotopic Mass: 329.22156051
• SMILES: c12nc(cn1cccn2)C(NC(=O)C1CCN(CC1)C(C)C)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C18H27N5O/c1-4-15(16-12-23-9-5-8-19-18(23)21-16)20-17(24)14-6-10-22(11-7-14)13(2)3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,24)
• InChIKey: PPOMJYXCDTVFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1-(propan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1-isopropylpiperidine-4-carboxamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.673019
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1906943
• LogD (pH = 7.4): -0.87324494
• Log P: 1.1846772
• Molar Refractivity: 96.0962 cm^3
• Polarizability: 36.507946 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.28
• LOG S: -2.7
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5