5-methyl-N-{1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 389214
• Molecular Formular: C17H19N7O2
• Molecular Mass: 353.37846
• Monoisotopic Mass: 353.16002288
• SMILES: n1c(noc1C(NC(=O)c1nn2c(c1)CN(CC2)C)C)c1ncccc1
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NC(c1onc(n1)c1ccccn1)C
• InChI: InChI=1S/C17H19N7O2/c1-11(17-20-15(22-26-17)13-5-3-4-6-18-13)19-16(25)14-9-12-10-23(2)7-8-24(12)21-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,25)
• InChIKey: OQSUKNHVSJZEIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-{1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-methyl-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.704204
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.6079296
• LogD (pH = 7.4): 1.085005
• Log P: 1.0962268
• Molar Refractivity: 116.9475 cm^3
• Polarizability: 35.879948 Å^3
• Polar Surface Area: 101.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.09
• LOG S: -3.01
• Polar Surface Area: 101.97 Å^2
• Rotatable Bonds: 4