1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 389093
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)N1CCC(C(=O)NCc2ncccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)c1cnc2n(c1C)ncc2)NCc1ccccn1
• InChI: InChI=1S/C20H22N6O2/c1-14-17(13-22-18-5-9-24-26(14)18)20(28)25-10-6-15(7-11-25)19(27)23-12-16-4-2-3-8-21-16/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H,23,27)
• InChIKey: SNHMIABYMWZIBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-[(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.84234
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21062228
• LogD (pH = 7.4): 0.22841111
• Log P: 0.22864304
• Molar Refractivity: 114.8294 cm^3
• Polarizability: 39.081078 Å^3
• Polar Surface Area: 92.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.8
• LOG S: -1.29
• Polar Surface Area: 92.49 Å^2
• Rotatable Bonds: 4