N-(1-methanesulfonylpiperidin-4-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 420029
• Molecular Formular: C15H21N5O3S
• Molecular Mass: 351.42394
• Monoisotopic Mass: 351.13651056
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NC1CCN(S(=O)(=O)C)CC1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)NC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C15H21N5O3S/c1-10-8-14-17-13(9-11(2)20(14)18-10)15(21)16-12-4-6-19(7-5-12)24(3,22)23/h8-9,12H,4-7H2,1-3H3,(H,16,21)
• InChIKey: ASGFHESDZASBKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methanesulfonylpiperidin-4-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-(1-methanesulfonylpiperidin-4-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: 2,7-dimethyl-N-[1-(methylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.275883
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.80738014
• LogD (pH = 7.4): -0.8071924
• Log P: -0.80718994
• Molar Refractivity: 100.4412 cm^3
• Polarizability: 34.487648 Å^3
• Polar Surface Area: 96.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.39
• LOG S: -2.1
• Polar Surface Area: 96.67 Å^2
• Rotatable Bonds: 2