1-(5-chloropyridin-2-yl)-4-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperazine

• ChemBase ID: 611340
• Molecular Formular: C15H15ClN6O
• Molecular Mass: 330.7722
• Monoisotopic Mass: 330.09958681
• SMILES: c12c(N3CCN(c4ncc(cc4)Cl)CC3)ncnc1onc2C
• Canonical SMILES: Clc1ccc(nc1)N1CCN(CC1)c1ncnc2c1c(C)no2
• InChI: InChI=1S/C15H15ClN6O/c1-10-13-14(18-9-19-15(13)23-20-10)22-6-4-21(5-7-22)12-3-2-11(16)8-17-12/h2-3,8-9H,4-7H2,1H3
• InChIKey: QKKURGBXWXUBRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chloropyridin-2-yl)-4-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperazine
• IUPAC Traditional name: 1-(5-chloropyridin-2-yl)-4-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperazine
• Synonyms: 4-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-3-methylisoxazolo[5,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.3177474
• LogD (pH = 7.4): 2.3530946
• Log P: 2.3535619
• Molar Refractivity: 89.2882 cm^3
• Polarizability: 32.68639 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -2.9
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 2