4-(benzyloxy)-1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperidine

• ChemBase ID: 370706
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: O=C(c1cnc2n(c1C)ncc2)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C20H22N4O2/c1-15-18(13-21-19-7-10-22-24(15)19)20(25)23-11-8-17(9-12-23)26-14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3
• InChIKey: GZZYBOIIHBYOJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperidine
• Synonyms: 6-{[4-(benzyloxy)-1-piperidinyl]carbonyl}-7-methylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8361473
• LogD (pH = 7.4): 1.8361851
• Log P: 1.8361856
• Molar Refractivity: 110.8832 cm^3
• Polarizability: 37.592865 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.91
• LOG S: -3.39
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4