2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[2-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]ethan-1-one

• ChemBase ID: 468083
• Molecular Formular: C17H23N7O3
• Molecular Mass: 373.40962
• Monoisotopic Mass: 373.18623763
• SMILES: c1(nn2c(c1)CN(C(=O)Cc1nonc1C)CC2)C(=O)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C(=O)c1nn2c(c1)CN(CC2)C(=O)Cc1nonc1C
• InChI: InChI=1S/C17H23N7O3/c1-12-14(20-27-19-12)10-16(25)23-7-8-24-13(11-23)9-15(18-24)17(26)22-5-3-21(2)4-6-22/h9H,3-8,10-11H2,1-2H3
• InChIKey: RKPWOXBLEWHHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[2-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]ethan-1-one
• IUPAC Traditional name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[2-(4-methylpiperazine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
• Synonyms: 5-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2-[(4-methylpiperazin-1-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.3877378
• LogD (pH = 7.4): -1.2816869
• Log P: -1.2107589
• Molar Refractivity: 109.5457 cm^3
• Polarizability: 36.27496 Å^3
• Polar Surface Area: 100.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.26
• LOG S: -3.45
• Polar Surface Area: 100.6 Å^2
• Rotatable Bonds: 3