{1-[3-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]piperidin-2-yl}methanol

• ChemBase ID: 367811
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: n12c(nc(cc1NCCCN1C(CO)CCCC1)CC)ccn2
• Canonical SMILES: OCC1CCCCN1CCCNc1cc(CC)nc2n1ncc2
• InChI: InChI=1S/C17H27N5O/c1-2-14-12-17(22-16(20-14)7-9-19-22)18-8-5-11-21-10-4-3-6-15(21)13-23/h7,9,12,15,18,23H,2-6,8,10-11,13H2,1H3
• InChIKey: FBMMNNXTIMXXAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[3-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]piperidin-2-yl}methanol
• IUPAC Traditional name: {1-[3-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)propyl]piperidin-2-yl}methanol
• Synonyms: (1-{3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl}-2-piperidinyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.112724
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.930743
• LogD (pH = 7.4): -0.4229286
• Log P: 1.3455832
• Molar Refractivity: 103.4281 cm^3
• Polarizability: 35.117794 Å^3
• Polar Surface Area: 65.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.79
• LOG S: -2.89
• Polar Surface Area: 65.69 Å^2
• Rotatable Bonds: 7