2-(methoxymethyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidine

• ChemBase ID: 697768
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c12c(cnn1cc(cn2)CN1C(COC)CCCC1)c1ccccc1
• Canonical SMILES: COCC1CCCCN1Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C20H24N4O/c1-25-15-18-9-5-6-10-23(18)13-16-11-21-20-19(12-22-24(20)14-16)17-7-3-2-4-8-17/h2-4,7-8,11-12,14,18H,5-6,9-10,13,15H2,1H3
• InChIKey: OHKZVKROTKVKJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidine
• IUPAC Traditional name: 2-(methoxymethyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidine
• Synonyms: 6-{[2-(methoxymethyl)piperidin-1-yl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4499471
• LogD (pH = 7.4): 2.2239816
• Log P: 3.1047525
• Molar Refractivity: 110.3082 cm^3
• Polarizability: 39.590816 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -1.92
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5