2-(4-methoxyphenyl)-1-{[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propan-2-ol

• ChemBase ID: 598403
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n12c(nc(cc1NCC(c1ccc(cc1)OC)(O)C)C(C)C)ccn2
• Canonical SMILES: COc1ccc(cc1)C(CNc1cc(nc2n1ncc2)C(C)C)(O)C
• InChI: InChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3
• InChIKey: GWNZLQLFYZXNHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-1-{[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propan-2-ol
• IUPAC Traditional name: 1-({5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-2-(4-methoxyphenyl)propan-2-ol
• Synonyms: 1-[(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-(4-methoxyphenyl)-2-propanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.949166
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.8069315
• LogD (pH = 7.4): 2.806977
• Log P: 2.8069775
• Molar Refractivity: 108.6901 cm^3
• Polarizability: 37.217003 Å^3
• Polar Surface Area: 71.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.24
• LOG S: -4.45
• Polar Surface Area: 71.68 Å^2
• Rotatable Bonds: 6