N,N-diethyl-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

• ChemBase ID: 615002
• Molecular Formular: C18H24N6O2S
• Molecular Mass: 388.48716
• Monoisotopic Mass: 388.16814504
• SMILES: c1(c2nn3c(c2)CN(S(=O)(=O)N(CC)CC)CC3)nc2c(n1C)cccc2
• Canonical SMILES: CCN(S(=O)(=O)N1CCn2c(C1)cc(n2)c1nc2c(n1C)cccc2)CC
• InChI: InChI=1S/C18H24N6O2S/c1-4-22(5-2)27(25,26)23-10-11-24-14(13-23)12-16(20-24)18-19-15-8-6-7-9-17(15)21(18)3/h6-9,12H,4-5,10-11,13H2,1-3H3
• InChIKey: QYRBJKBXWNGGRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• IUPAC Traditional name: N,N-diethyl-2-(1-methyl-1,3-benzodiazol-2-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• Synonyms: N,N-diethyl-2-(1-methyl-1H-benzimidazol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4282275
• LogD (pH = 7.4): 1.438251
• Log P: 1.4383805
• Molar Refractivity: 125.8869 cm^3
• Polarizability: 42.484413 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.43
• LOG S: -4.11
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 3