4-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one

• ChemBase ID: 362936
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(nc(cc1NC1CC(=O)N(C1)CCC)C)cc(n2)C
• Canonical SMILES: CCCN1CC(CC1=O)Nc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C15H21N5O/c1-4-5-19-9-12(8-15(19)21)17-14-6-10(2)16-13-7-11(3)18-20(13)14/h6-7,12,17H,4-5,8-9H2,1-3H3
• InChIKey: FAMTZISSYRAKHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one
• IUPAC Traditional name: 4-({2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one
• Synonyms: 4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.600375
• LogD (pH = 7.4): 0.6007553
• Log P: 0.60076016
• Molar Refractivity: 91.7771 cm^3
• Polarizability: 30.431303 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.53
• LOG S: -2.6
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4