6-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl}quinoxaline

• ChemBase ID: 611931
• Molecular Formular: C22H19N5O
• Molecular Mass: 369.41916
• Monoisotopic Mass: 369.15896025
• SMILES: c12n(nc(c1)Cc1ccccc1)CCN(C(=O)c1cc3nccnc3cc1)C2
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCn2c(C1)cc(n2)Cc1ccccc1
• InChI: InChI=1S/C22H19N5O/c28-22(17-6-7-20-21(13-17)24-9-8-23-20)26-10-11-27-19(15-26)14-18(25-27)12-16-4-2-1-3-5-16/h1-9,13-14H,10-12,15H2
• InChIKey: UQWSLRCNSQALNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl}quinoxaline
• IUPAC Traditional name: 6-{2-benzyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl}quinoxaline
• Synonyms: 6-[(2-benzyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)carbonyl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4632905
• LogD (pH = 7.4): 2.4635863
• Log P: 2.4635901
• Molar Refractivity: 117.0601 cm^3
• Polarizability: 41.447334 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.09
• LOG S: -2.82
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3