1-{5-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-methylpiperazine

• ChemBase ID: 413576
• Molecular Formular: C19H29N7O
• Molecular Mass: 371.47986
• Monoisotopic Mass: 371.24335858
• SMILES: c1(nn2c(c1)CN(Cc1[nH]c(nc1C)CC)CC2)C(=O)N1CCN(CC1)C
• Canonical SMILES: CCc1nc(c([nH]1)CN1CCn2c(C1)cc(n2)C(=O)N1CCN(CC1)C)C
• InChI: InChI=1S/C19H29N7O/c1-4-18-20-14(2)17(21-18)13-24-7-10-26-15(12-24)11-16(22-26)19(27)25-8-5-23(3)6-9-25/h11H,4-10,12-13H2,1-3H3,(H,20,21)
• InChIKey: WZRPLQCLJIOHLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-methylpiperazine
• IUPAC Traditional name: 1-{5-[(2-ethyl-5-methyl-3H-imidazol-4-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-methylpiperazine
• Synonyms: 5-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-2-[(4-methylpiperazin-1-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.46314
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.3097425
• LogD (pH = 7.4): -0.0856642
• Log P: 0.102916114
• Molar Refractivity: 117.0665 cm^3
• Polarizability: 39.854443 Å^3
• Polar Surface Area: 73.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.45
• LOG S: -2.29
• Polar Surface Area: 73.29 Å^2
• Rotatable Bonds: 4