4-(1-{2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)pyridine

• ChemBase ID: 521128
• Molecular Formular: C23H23N5
• Molecular Mass: 369.46222
• Monoisotopic Mass: 369.19534576
• SMILES: n12c(nc(cc1N1CCC(CC1)c1ccncc1)c1ccccc1)cc(n2)C
• Canonical SMILES: Cc1cc2n(n1)c(cc(n2)c1ccccc1)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C23H23N5/c1-17-15-22-25-21(20-5-3-2-4-6-20)16-23(28(22)26-17)27-13-9-19(10-14-27)18-7-11-24-12-8-18/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3
• InChIKey: DEKFMWUNWZRVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)pyridine
• IUPAC Traditional name: 4-(1-{2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)pyridine
• Synonyms: 2-methyl-5-phenyl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7798126
• LogD (pH = 7.4): 4.062538
• Log P: 4.06827
• Molar Refractivity: 121.4399 cm^3
• Polarizability: 43.37556 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.84
• LOG S: -3.87
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3