4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one

• ChemBase ID: 825347
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: n12c(c(c(n2)C)C)nc(cc1NC1CC(=O)N(C1)CCC)CC
• Canonical SMILES: CCCN1CC(CC1=O)Nc1cc(CC)nc2n1nc(c2C)C
• InChI: InChI=1S/C17H25N5O/c1-5-7-21-10-14(9-16(21)23)18-15-8-13(6-2)19-17-11(3)12(4)20-22(15)17/h8,14,18H,5-7,9-10H2,1-4H3
• InChIKey: RXABWHLTTLMGOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one
• IUPAC Traditional name: 4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-propylpyrrolidin-2-one
• Synonyms: 4-[(5-ethyl-2,3-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): 1.8143976
• LogD (pH = 7.4): 1.8147134
• Log P: 1.8147174
• Molar Refractivity: 101.4452 cm^3
• Polarizability: 34.026516 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: 2.52
• LOG S: -3.65
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5