N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 537010
• Molecular Formular: C14H20N6O3
• Molecular Mass: 320.347
• Monoisotopic Mass: 320.15968853
• SMILES: n12nc(cc1CNCC2)CCC(=O)NCCOc1nonc1C
• Canonical SMILES: O=C(CCc1nn2c(c1)CNCC2)NCCOc1nonc1C
• InChI: InChI=1S/C14H20N6O3/c1-10-14(19-23-18-10)22-7-5-16-13(21)3-2-11-8-12-9-15-4-6-20(12)17-11/h8,15H,2-7,9H2,1H3,(H,16,21)
• InChIKey: HWJSWKUWUQPYAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.698855
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.0727134
• LogD (pH = 7.4): -1.3988934
• Log P: -0.96038014
• Molar Refractivity: 94.1494 cm^3
• Polarizability: 31.062017 Å^3
• Polar Surface Area: 107.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -1.45
• LOG S: -1.61
• Polar Surface Area: 107.1 Å^2
• Rotatable Bonds: 7