1-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-4-ylmethyl)piperazine

• ChemBase ID: 819773
• Molecular Formular: C20H26N6
• Molecular Mass: 350.46064
• Monoisotopic Mass: 350.22189486
• SMILES: n12c(nc(cc1N1CCN(Cc3ccncc3)CC1)C(C)C)cc(n2)C
• Canonical SMILES: Cc1cc2n(n1)c(cc(n2)C(C)C)N1CCN(CC1)Cc1ccncc1
• InChI: InChI=1S/C20H26N6/c1-15(2)18-13-20(26-19(22-18)12-16(3)23-26)25-10-8-24(9-11-25)14-17-4-6-21-7-5-17/h4-7,12-13,15H,8-11,14H2,1-3H3
• InChIKey: FXOSHBODXZMNOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-4-ylmethyl)piperazine
• IUPAC Traditional name: 1-{5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(pyridin-4-ylmethyl)piperazine
• Synonyms: 5-isopropyl-2-methyl-7-[4-(4-pyridinylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.93100935
• LogD (pH = 7.4): 2.4660819
• Log P: 2.7104902
• Molar Refractivity: 114.3457 cm^3
• Polarizability: 39.42728 Å^3
• Polar Surface Area: 49.56 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: 2.21
• LOG S: -1.33
• Polar Surface Area: 49.56 Å^2
• Rotatable Bonds: 4