N-(1-methanesulfonylpiperidin-4-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

• ChemBase ID: 858474
• Molecular Formular: C14H19N5O3S
• Molecular Mass: 337.39736
• Monoisotopic Mass: 337.12086049
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)NC1CCN(S(=O)(=O)C)CC1
• Canonical SMILES: O=C(c1cnc2n(c1C)ncc2)NC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C14H19N5O3S/c1-10-12(9-15-13-3-6-16-19(10)13)14(20)17-11-4-7-18(8-5-11)23(2,21)22/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,17,20)
• InChIKey: PMAVYMFKXZOHKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methanesulfonylpiperidin-4-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-(1-methanesulfonylpiperidin-4-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• Synonyms: 7-methyl-N-[1-(methylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.821878
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3244487
• LogD (pH = 7.4): -1.324411
• Log P: -1.3244104
• Molar Refractivity: 96.2217 cm^3
• Polarizability: 32.732986 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: -0.07
• LOG S: -2.91
• Polar Surface Area: 96.67 Å^2
• Rotatable Bonds: 2