4-(1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}azetidin-3-yl)pyridine

• ChemBase ID: 540333
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1CC(C1)c1ccncc1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)N1CC(C1)c1ccncc1
• InChI: InChI=1S/C17H17N5O/c1-11-7-16-19-15(8-12(2)22(16)20-11)17(23)21-9-14(10-21)13-3-5-18-6-4-13/h3-8,14H,9-10H2,1-2H3
• InChIKey: CWZCEZBCBFMBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}azetidin-3-yl)pyridine
• IUPAC Traditional name: 4-(1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}azetidin-3-yl)pyridine
• Synonyms: 2,7-dimethyl-5-{[3-(4-pyridinyl)-1-azetidinyl]carbonyl}pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.83711857
• LogD (pH = 7.4): 0.9499327
• Log P: 0.9516368
• Molar Refractivity: 97.2655 cm^3
• Polarizability: 32.251324 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.1
• LOG S: -1.37
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2