6-[(diethylamino)methyl]-N-(1,3-dihydro-2-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 617953
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c12c(C(=O)Nc3cc4c(cc3)COC4)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)Nc1ccc2c(c1)COC2)CC
• InChI: InChI=1S/C20H23N5O2/c1-3-24(4-2)10-14-8-21-19-18(9-22-25(19)11-14)20(26)23-17-6-5-15-12-27-13-16(15)7-17/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,23,26)
• InChIKey: LHODUBLJEMVYPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-(1,3-dihydro-2-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-(1,3-dihydro-2-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-(1,3-dihydro-2-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.500327
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.79769546
• LogD (pH = 7.4): 0.9627048
• Log P: 2.026874
• Molar Refractivity: 117.4687 cm^3
• Polarizability: 39.37404 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: 5
• H Donor: 1
• Log P: 0.4
• LOG S: -2.21
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 6