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

• ChemBase ID: 862936
• Molecular Formular: C20H24FN5
• Molecular Mass: 353.4364632
• Monoisotopic Mass: 353.20157401
• SMILES: n12c(cc(nc1ccn2)CC)NC1CCN(Cc2c(F)cccc2)CC1
• Canonical SMILES: CCc1cc(NC2CCN(CC2)Cc2ccccc2F)n2c(n1)ccn2
• InChI: InChI=1S/C20H24FN5/c1-2-16-13-20(26-19(23-16)7-10-22-26)24-17-8-11-25(12-9-17)14-15-5-3-4-6-18(15)21/h3-7,10,13,17,24H,2,8-9,11-12,14H2,1H3
• InChIKey: OFQXMXQDSVWXMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-[(2-fluorophenyl)methyl]piperidin-4-amine
• IUPAC Traditional name: N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-[(2-fluorophenyl)methyl]piperidin-4-amine
• Synonyms: 5-ethyl-N-[1-(2-fluorobenzyl)-4-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6643701
• LogD (pH = 7.4): 2.3950922
• Log P: 2.940929
• Molar Refractivity: 112.7192 cm^3
• Polarizability: 38.215767 Å^3
• Polar Surface Area: 45.46 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: 3.52
• LOG S: -3.77
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5