N-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methyl]acetamide

• ChemBase ID: 457519
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(cc(nc1ccn2)C)N1CCC(CNC(=O)C)CC1
• Canonical SMILES: CC(=O)NCC1CCN(CC1)c1cc(C)nc2n1ncc2
• InChI: InChI=1S/C15H21N5O/c1-11-9-15(20-14(18-11)3-6-17-20)19-7-4-13(5-8-19)10-16-12(2)21/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H,16,21)
• InChIKey: OKZAWHJECKISKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methyl]acetamide
• IUPAC Traditional name: N-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methyl]acetamide
• Synonyms: N-{[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.526525
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47225365
• LogD (pH = 7.4): 0.47230217
• Log P: 0.4723028
• Molar Refractivity: 91.6906 cm^3
• Polarizability: 30.509304 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.41
• LOG S: -1.65
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3