N-[2-methoxy-2-(thiophen-2-yl)ethyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 544063
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCC(c1sccc1)OC
• Canonical SMILES: COC(c1cccs1)CNC(=O)c1nn2c(c1)CN(CC2)C(C)C
• InChI: InChI=1S/C17H24N4O2S/c1-12(2)20-6-7-21-13(11-20)9-14(19-21)17(22)18-10-15(23-3)16-5-4-8-24-16/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,18,22)
• InChIKey: RGXSSTVYYSNJAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-2-(thiophen-2-yl)ethyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[2-methoxy-2-(thiophen-2-yl)ethyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isopropyl-N-[2-methoxy-2-(2-thienyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.022611
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.075835
• LogD (pH = 7.4): 1.9383123
• Log P: 1.9746746
• Molar Refractivity: 106.3993 cm^3
• Polarizability: 36.232887 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -3.33
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6