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

• ChemBase ID: 701774
• Molecular Formular: C16H22N6O2
• Molecular Mass: 330.38488
• Monoisotopic Mass: 330.18042397
• SMILES: n12c(cc(nc1ccn2)C)N1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCN(CC1)c1cc(C)nc2n1ncc2
• InChI: InChI=1S/C16H22N6O2/c1-13-12-15(22-14(18-13)2-3-17-22)19-4-6-20(7-5-19)16(23)21-8-10-24-11-9-21/h2-3,12H,4-11H2,1H3
• InChIKey: RUIAVKXQSHAMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)morpholine
• IUPAC Traditional name: 4-(4-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)morpholine
• Synonyms: 5-methyl-7-[4-(morpholin-4-ylcarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.04905055
• LogD (pH = 7.4): -0.04900289
• Log P: -0.04900228
• Molar Refractivity: 99.9129 cm^3
• Polarizability: 33.496193 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: -0.09
• LOG S: -2.84
• Polar Surface Area: 66.21 Å^2
• Rotatable Bonds: 1