1-(2-methoxyethyl)-4-({5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}amino)pyrrolidin-2-one

• ChemBase ID: 734212
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)NC1CC(=O)N(C1)CCOC
• Canonical SMILES: COCCN1CC(CC1=O)Nc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H21N5O2/c1-26-10-9-23-13-15(11-19(23)25)21-18-12-16(14-5-3-2-4-6-14)22-17-7-8-20-24(17)18/h2-8,12,15,21H,9-11,13H2,1H3
• InChIKey: GPYMDWRBTRFCDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4447508
• LogD (pH = 7.4): 1.4447892
• Log P: 1.4447896
• Molar Refractivity: 109.1292 cm^3
• Polarizability: 38.532654 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -2.94
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 6