5-ethyl-N-[4-(pyridin-2-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 831703
• Molecular Formular: C17H21N5
• Molecular Mass: 295.38214
• Monoisotopic Mass: 295.1796957
• SMILES: n12c(nc(cc1NCCCCc1ncccc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCCCCc2ccccn2)n2c(n1)ccn2
• InChI: InChI=1S/C17H21N5/c1-2-14-13-17(22-16(21-14)9-12-20-22)19-11-6-4-8-15-7-3-5-10-18-15/h3,5,7,9-10,12-13,19H,2,4,6,8,11H2,1H3
• InChIKey: ITUUIDGIDRCBBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[4-(pyridin-2-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[4-(pyridin-2-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[4-(2-pyridinyl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2728002
• LogD (pH = 7.4): 2.5989454
• Log P: 2.605463
• Molar Refractivity: 98.428 cm^3
• Polarizability: 33.11191 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.22
• LOG S: -2.8
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 7