ethyl 4-{pyrazolo[1,5-a]pyrimidine-2-amido}piperidine-1-carboxylate

• ChemBase ID: 780108
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: c1(nn2c(c1)nccc2)C(=O)NC1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC(=O)c1nn2c(c1)nccc2
• InChI: InChI=1S/C15H19N5O3/c1-2-23-15(22)19-8-4-11(5-9-19)17-14(21)12-10-13-16-6-3-7-20(13)18-12/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,21)
• InChIKey: ZCVLUFDRDMZQPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-{pyrazolo[1,5-a]pyrimidine-2-amido}piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{pyrazolo[1,5-a]pyrimidine-2-amido}piperidine-1-carboxylate
• Synonyms: ethyl 4-[(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)amino]piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.025584
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34293845
• LogD (pH = 7.4): 0.34293875
• Log P: 0.34293887
• Molar Refractivity: 93.4712 cm^3
• Polarizability: 31.224773 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.41
• LOG S: -2.47
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4