N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-4-(piperidin-1-yl)butanamide

• ChemBase ID: 432737
• Molecular Formular: C18H27N5O
• Molecular Mass: 329.43988
• Monoisotopic Mass: 329.22156051
• SMILES: c12nc(cn1cccn2)C(NC(=O)CCCN1CCCCC1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)CCCN1CCCCC1
• InChI: InChI=1S/C18H27N5O/c1-2-15(16-14-23-13-7-9-19-18(23)21-16)20-17(24)8-6-12-22-10-4-3-5-11-22/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,24)
• InChIKey: KBOHIQOACNVRTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-4-(piperidin-1-yl)butanamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-4-(piperidin-1-yl)butanamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-(1-piperidinyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.782857
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1943707
• LogD (pH = 7.4): -0.9095957
• Log P: 1.192207
• Molar Refractivity: 96.2279 cm^3
• Polarizability: 36.507946 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.44
• LOG S: -2.83
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 7