(furan-3-ylmethyl)(methyl){[5-(propane-2-sulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}amine

• ChemBase ID: 720112
• Molecular Formular: C16H24N4O3S
• Molecular Mass: 352.45176
• Monoisotopic Mass: 352.15691165
• SMILES: S(=O)(=O)(N1Cc2n(nc(c2)CN(Cc2cocc2)C)CC1)C(C)C
• Canonical SMILES: CN(Cc1nn2c(c1)CN(CC2)S(=O)(=O)C(C)C)Cc1cocc1
• InChI: InChI=1S/C16H24N4O3S/c1-13(2)24(21,22)19-5-6-20-16(11-19)8-15(17-20)10-18(3)9-14-4-7-23-12-14/h4,7-8,12-13H,5-6,9-11H2,1-3H3
• InChIKey: HOOFENSLHBBJMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-3-ylmethyl)(methyl){[5-(propane-2-sulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}amine
• IUPAC Traditional name: (furan-3-ylmethyl)(methyl){[5-(propane-2-sulfonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}amine
• Synonyms: (3-furylmethyl){[5-(isopropylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.16847216
• LogD (pH = 7.4): 0.73725766
• Log P: 0.7782607
• Molar Refractivity: 103.8463 cm^3
• Polarizability: 36.306778 Å^3
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.03
• LOG S: -1.64
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 5