2-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine

• ChemBase ID: 521661
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c1(nn2c(c1)CN(c1nccnc1)CC2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)c1cnccn1)N1CCCC1
• InChI: InChI=1S/C15H18N6O/c22-15(19-5-1-2-6-19)13-9-12-11-20(7-8-21(12)18-13)14-10-16-3-4-17-14/h3-4,9-10H,1-2,5-8,11H2
• InChIKey: JZWLLXWXKBPWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine
• IUPAC Traditional name: 2-[2-(pyrrolidine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine
• Synonyms: 5-pyrazin-2-yl-2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.23075405
• LogD (pH = 7.4): 0.2308507
• Log P: 0.23085192
• Molar Refractivity: 93.9516 cm^3
• Polarizability: 30.311394 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.77
• LOG S: -1.17
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2