N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 597531
• Molecular Formular: C18H23N7O
• Molecular Mass: 353.42152
• Monoisotopic Mass: 353.19640839
• SMILES: c12nc(cn1cccn2)C(NC(=O)CCc1nn2c(c1)CNCC2)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C18H23N7O/c1-2-15(16-12-24-8-3-6-20-18(24)22-16)21-17(26)5-4-13-10-14-11-19-7-9-25(14)23-13/h3,6,8,10,12,15,19H,2,4-5,7,9,11H2,1H3,(H,21,26)
• InChIKey: YMLPDYCUVMKFDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3667
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.301164
• LogD (pH = 7.4): -0.6263484
• Log P: -0.18782201
• Molar Refractivity: 110.1615 cm^3
• Polarizability: 37.31579 Å^3
• Polar Surface Area: 89.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.98
• LOG S: -2.25
• Polar Surface Area: 89.14 Å^2
• Rotatable Bonds: 6