5-phenyl-N-[3-(pyridin-3-yloxy)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 475032
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: n12c(nc(cc1NCCCOc1cnccc1)c1ccccc1)ccn2
• Canonical SMILES: C(CNc1cc(nc2n1ncc2)c1ccccc1)COc1cccnc1
• InChI: InChI=1S/C20H19N5O/c1-2-6-16(7-3-1)18-14-20(25-19(24-18)9-12-23-25)22-11-5-13-26-17-8-4-10-21-15-17/h1-4,6-10,12,14-15,22H,5,11,13H2
• InChIKey: LHEWNYNRSQJOFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-N-[3-(pyridin-3-yloxy)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-phenyl-N-[3-(pyridin-3-yloxy)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-[3-(3-pyridinyloxy)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.664557
• LogD (pH = 7.4): 2.7334814
• Log P: 2.7344544
• Molar Refractivity: 111.2456 cm^3
• Polarizability: 39.388504 Å^3
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.55
• LOG S: -4.75
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 7