[1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidin-4-yl](1-methyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 621825
• Molecular Formular: C19H26N6O
• Molecular Mass: 354.44934
• Monoisotopic Mass: 354.21680948
• SMILES: c12n(ncc1CN1CCC(C(c3n(ccn3)C)O)CC1)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)CN1CCC(CC1)C(c1nccn1C)O
• InChI: InChI=1S/C19H26N6O/c1-13-10-14(2)25-18(22-13)16(11-21-25)12-24-7-4-15(5-8-24)17(26)19-20-6-9-23(19)3/h6,9-11,15,17,26H,4-5,7-8,12H2,1-3H3
• InChIKey: GXXNFSVXAWOKEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidin-4-yl](1-methyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: [1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidin-4-yl](1-methylimidazol-2-yl)methanol
• Synonyms: {1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl}(1-methyl-1H-imidazol-2-yl)methanol

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -1.6541107
• LogD (pH = 7.4): 0.3165103
• Log P: 0.81876314
• Molar Refractivity: 112.1362 cm^3
• Polarizability: 38.388397 Å^3
• Polar Surface Area: 71.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.328708
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 1
• Log P: 0.54
• LOG S: -1.24
• Polar Surface Area: 71.48 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5