N-[1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidin-4-yl]acetamide

• ChemBase ID: 784010
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c12c(cnn1cc(cn2)CN1CCC(NC(=O)C)CC1)c1ccccc1
• Canonical SMILES: CC(=O)NC1CCN(CC1)Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C20H23N5O/c1-15(26)23-18-7-9-24(10-8-18)13-16-11-21-20-19(12-22-25(20)14-16)17-5-3-2-4-6-17/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,23,26)
• InChIKey: PQNPMHPPHFLYGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperidin-4-yl]acetamide
• Synonyms: N-{1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.38455
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9227244
• LogD (pH = 7.4): 0.78641653
• Log P: 1.2716192
• Molar Refractivity: 112.2781 cm^3
• Polarizability: 40.08747 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.06
• LOG S: -3.11
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4