4-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)morpholine

• ChemBase ID: 830338
• Molecular Formular: C18H26N6O2
• Molecular Mass: 358.43804
• Monoisotopic Mass: 358.2117241
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CCN(C(=O)N2CCOCC2)CC1)C
• Canonical SMILES: Cc1cc(N2CCN(CC2)C(=O)N2CCOCC2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C18H26N6O2/c1-13-12-16(24-17(19-13)14(2)15(3)20-24)21-4-6-22(7-5-21)18(25)23-8-10-26-11-9-23/h12H,4-11H2,1-3H3
• InChIKey: NEPODPTVYHJOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)morpholine
• IUPAC Traditional name: 4-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)morpholine
• Synonyms: 2,3,5-trimethyl-7-[4-(4-morpholinylcarbonyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5954684
• LogD (pH = 7.4): 0.59578526
• Log P: 0.59578925
• Molar Refractivity: 109.5456 cm^3
• Polarizability: 37.005962 Å^3
• Polar Surface Area: 66.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.83
• LOG S: -2.52
• Polar Surface Area: 66.21 Å^2
• Rotatable Bonds: 1