N-{[4-(dimethylamino)oxan-4-yl]methyl}-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 703996
• Molecular Formular: C20H24FN5O
• Molecular Mass: 369.4358632
• Monoisotopic Mass: 369.19648863
• SMILES: n12c(nc(cc1NCC1(N(C)C)CCOCC1)c1c(F)cccc1)ccn2
• Canonical SMILES: CN(C1(CCOCC1)CNc1cc(nc2n1ncc2)c1ccccc1F)C
• InChI: InChI=1S/C20H24FN5O/c1-25(2)20(8-11-27-12-9-20)14-22-19-13-17(15-5-3-4-6-16(15)21)24-18-7-10-23-26(18)19/h3-7,10,13,22H,8-9,11-12,14H2,1-2H3
• InChIKey: OWDBJMDTAVZEAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(dimethylamino)oxan-4-yl]methyl}-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[4-(dimethylamino)oxan-4-yl]methyl}-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0904161
• LogD (pH = 7.4): 0.19572593
• Log P: 2.2944188
• Molar Refractivity: 114.5855 cm^3
• Polarizability: 40.349182 Å^3
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.99
• LOG S: -3.44
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5