N-(propan-2-yl)-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 829740
• Molecular Formular: C14H20N6O
• Molecular Mass: 288.3482
• Monoisotopic Mass: 288.16985929
• SMILES: c1(nn2c(c1)CNCC2)c1n(CC(=O)NC(C)C)ccn1
• Canonical SMILES: CC(NC(=O)Cn1ccnc1c1nn2c(c1)CNCC2)C
• InChI: InChI=1S/C14H20N6O/c1-10(2)17-13(21)9-19-5-4-16-14(19)12-7-11-8-15-3-6-20(11)18-12/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,17,21)
• InChIKey: KQFQKUHSNXIYPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)acetamide
• Synonyms: N-isopropyl-2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.264802
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4774384
• LogD (pH = 7.4): -0.6761686
• Log P: -0.108142756
• Molar Refractivity: 100.6699 cm^3
• Polarizability: 30.887293 Å^3
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.86
• LOG S: -1.02
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 4