5-acetyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 485346
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(nn2c(c1)CN(C(=O)C)CC2)C(=O)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1CC(N(C(=O)c1nn2c(c1)CN(CC2)C(=O)C)C)C
• InChI: InChI=1S/C20H26N4O3/c1-14(11-16-7-5-6-8-19(16)27-4)22(3)20(26)18-12-17-13-23(15(2)25)9-10-24(17)21-18/h5-8,12,14H,9-11,13H2,1-4H3
• InChIKey: BQWIEOMFZGLPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-acetyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-acetyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-acetyl-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-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): 1.273753
• LogD (pH = 7.4): 1.273754
• Log P: 1.273754
• Molar Refractivity: 114.4332 cm^3
• Polarizability: 39.157604 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.2
• LOG S: -3.38
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5