N-benzyl-1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine-4-carboxamide

• ChemBase ID: 560852
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: n12c(cc(nc1ccn2)CC)N1CCC(C(=O)NCc2ccccc2)CC1
• Canonical SMILES: CCc1cc(N2CCC(CC2)C(=O)NCc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C21H25N5O/c1-2-18-14-20(26-19(24-18)8-11-23-26)25-12-9-17(10-13-25)21(27)22-15-16-6-4-3-5-7-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,22,27)
• InChIKey: SFORWFSOWFLSPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.217404
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8964837
• LogD (pH = 7.4): 2.8965302
• Log P: 2.8965306
• Molar Refractivity: 116.3873 cm^3
• Polarizability: 40.087463 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.36
• LOG S: -3.87
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5