1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N-(furan-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 363084
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n12c(cc(nc1ccn2)CC)N1CCC(C(=O)NCc2occc2)CC1
• Canonical SMILES: CCc1cc(N2CCC(CC2)C(=O)NCc2ccco2)n2c(n1)ccn2
• InChI: InChI=1S/C19H23N5O2/c1-2-15-12-18(24-17(22-15)5-8-21-24)23-9-6-14(7-10-23)19(25)20-13-16-4-3-11-26-16/h3-5,8,11-12,14H,2,6-7,9-10,13H2,1H3,(H,20,25)
• InChIKey: VOTRNEGFEOVWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(2-furylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3454275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9567302
• LogD (pH = 7.4): 1.9567764
• Log P: 1.9567773
• Molar Refractivity: 108.7782 cm^3
• Polarizability: 36.97439 Å^3
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.53
• LOG S: -3.08
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 5