N,5-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 490473
• Molecular Formular: C17H19N5OS2
• Molecular Mass: 373.49566
• Monoisotopic Mass: 373.10310225
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(Cc1nc(sc1)c1sccc1)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(Cc1csc(n1)c1cccs1)C
• InChI: InChI=1S/C17H19N5OS2/c1-20-5-6-22-13(10-20)8-14(19-22)17(23)21(2)9-12-11-25-16(18-12)15-4-3-7-24-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3
• InChIKey: BUKSJBJQDSZKQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N,5-dimethyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.553735
• LogD (pH = 7.4): 2.0302758
• Log P: 2.0414777
• Molar Refractivity: 121.2027 cm^3
• Polarizability: 38.093925 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.59
• LOG S: -3.28
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4