1-[3-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]pyrrolidin-2-one

• ChemBase ID: 759943
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(nc(cc1NCCCN1C(=O)CCC1)C)cc(n2)C
• Canonical SMILES: O=C1CCCN1CCCNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C15H21N5O/c1-11-9-13(20-14(17-11)10-12(2)18-20)16-6-4-8-19-7-3-5-15(19)21/h9-10,16H,3-8H2,1-2H3
• InChIKey: UHGBLQAEONMLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[3-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]pyrrolidin-2-one
• Synonyms: 1-{3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.009894111
• LogD (pH = 7.4): 0.010278752
• Log P: 0.010283658
• Molar Refractivity: 92.4547 cm^3
• Polarizability: 30.431417 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.31
• LOG S: -2.42
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5