N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentane-1,5-diamine

• ChemBase ID: 522186
• Molecular Formular: C17H20FN5
• Molecular Mass: 313.3726032
• Monoisotopic Mass: 313.17027389
• SMILES: n12c(nc(cc1NCCCCCN)c1c(F)cccc1)ccn2
• Canonical SMILES: NCCCCCNc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C17H20FN5/c18-14-7-3-2-6-13(14)15-12-17(20-10-5-1-4-9-19)23-16(22-15)8-11-21-23/h2-3,6-8,11-12,20H,1,4-5,9-10,19H2
• InChIKey: FSASKAGFSQKCMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentane-1,5-diamine
• IUPAC Traditional name: N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentane-1,5-diamine
• Synonyms: (5-aminopentyl)[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.40829796
• LogD (pH = 7.4): 0.011529315
• Log P: 2.6157267
• Molar Refractivity: 100.2621 cm^3
• Polarizability: 34.862465 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.17
• LOG S: -3.19
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 7