N-(3-methoxypropyl)-6-(2-methyl-4-phenylpiperazin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 381626
• Molecular Formular: C19H25N7O2
• Molecular Mass: 383.4475
• Monoisotopic Mass: 383.20697308
• SMILES: n1c2c(nc(c1N1C(CN(CC1)c1ccccc1)C)NCCCOC)non2
• Canonical SMILES: COCCCNc1nc2nonc2nc1N1CCN(CC1C)c1ccccc1
• InChI: InChI=1S/C19H25N7O2/c1-14-13-25(15-7-4-3-5-8-15)10-11-26(14)19-18(20-9-6-12-27-2)21-16-17(22-19)24-28-23-16/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,20,21,23)
• InChIKey: DMOZZEXUAAMBKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-6-(2-methyl-4-phenylpiperazin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-6-(2-methyl-4-phenylpiperazin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• Synonyms: N-(3-methoxypropyl)-6-(2-methyl-4-phenyl-1-piperazinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.211594
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 2.4726326
• LogD (pH = 7.4): 2.475433
• Log P: 2.4754689
• Molar Refractivity: 113.0923 cm^3
• Polarizability: 39.452496 Å^3
• Polar Surface Area: 92.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.7
• LOG S: -4.82
• Polar Surface Area: 92.44 Å^2
• Rotatable Bonds: 6