N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 470155
• Molecular Formular: C16H19N7O
• Molecular Mass: 325.36836
• Monoisotopic Mass: 325.16510826
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NC(c1nc2n(c1)cccn2)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C16H19N7O/c1-2-11(12-9-23-6-3-4-18-16(23)21-12)20-15(24)13-10-22-7-5-17-8-14(22)19-13/h3-4,6,9-11,17H,2,5,7-8H2,1H3,(H,20,24)
• InChIKey: VWMSLPJJBWTZGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -2.66
• Polar Surface Area: 89.14 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 2
• Log P: -0.26

JChem

• Molar Refractivity: 89.9585 cm^3
• Polarizability: 33.44821 Å^3
• Polar Surface Area: 89.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.220219
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.3817408
• LogD (pH = 7.4): -0.3311403
• Log P: -0.2701104