2-{[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-(pyridin-2-yl)ethan-1-ol

• ChemBase ID: 573948
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: n12c(nc(cc1NCC(c1ncccc1)O)C(C)C)ccn2
• Canonical SMILES: OC(c1ccccn1)CNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C16H19N5O/c1-11(2)13-9-16(21-15(20-13)6-8-19-21)18-10-14(22)12-5-3-4-7-17-12/h3-9,11,14,18,22H,10H2,1-2H3
• InChIKey: COYLNUXLUSVIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-(pyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-({5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-(pyridin-2-yl)ethanol
• Synonyms: 2-[(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-2-ylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.416717
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6535965
• LogD (pH = 7.4): 1.6994411
• Log P: 1.700061
• Molar Refractivity: 94.9847 cm^3
• Polarizability: 31.963207 Å^3
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.48
• LOG S: -1.33
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5