N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide

• ChemBase ID: 372782
• Molecular Formular: C19H28N6O2
• Molecular Mass: 372.46462
• Monoisotopic Mass: 372.22737417
• SMILES: c1(c(n(nc1C)CC)C)NC(=O)CN1CCC(c2nc(nc(c2)O)C)CC1
• Canonical SMILES: CCn1nc(c(c1C)NC(=O)CN1CCC(CC1)c1cc(O)nc(n1)C)C
• InChI: InChI=1S/C19H28N6O2/c1-5-25-13(3)19(12(2)23-25)22-18(27)11-24-8-6-15(7-9-24)16-10-17(26)21-14(4)20-16/h10,15H,5-9,11H2,1-4H3,(H,22,27)(H,20,21,26)
• InChIKey: KUBSZTUORRSHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
• Synonyms: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.403401
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.48707408
• LogD (pH = 7.4): 1.5308074
• Log P: 1.5906603
• Molar Refractivity: 117.714 cm^3
• Polarizability: 39.273438 Å^3
• Polar Surface Area: 96.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.87
• LOG S: -2.66
• Polar Surface Area: 96.17 Å^2
• Rotatable Bonds: 5