1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-(2,6-dimethylpyridin-4-yl)piperazine

• ChemBase ID: 364572
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c12c(C(=O)N3CCN(c4cc(nc(c4)C)C)CC3)cnn1c(cc(n2)C)C
• Canonical SMILES: Cc1nc(C)cc(c1)N1CCN(CC1)C(=O)c1cnn2c1nc(C)cc2C
• InChI: InChI=1S/C20H24N6O/c1-13-9-16(4)26-19(23-13)18(12-21-26)20(27)25-7-5-24(6-8-25)17-10-14(2)22-15(3)11-17/h9-12H,5-8H2,1-4H3
• InChIKey: RHKYCHILERHIBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-(2,6-dimethylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-(2,6-dimethylpyridin-4-yl)piperazine
• Synonyms: 3-{[4-(2,6-dimethyl-4-pyridinyl)-1-piperazinyl]carbonyl}-5,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8462039
• LogD (pH = 7.4): -0.5468686
• Log P: 1.0652043
• Molar Refractivity: 115.9613 cm^3
• Polarizability: 38.76468 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.18
• LOG S: -3.01
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2