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

• ChemBase ID: 614559
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c12c(C(=O)N3C(c4ncccc4)CCCC3)cnn1c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C19H21N5O/c1-13-11-14(2)24-18(22-13)15(12-21-24)19(25)23-10-6-4-8-17(23)16-7-3-5-9-20-16/h3,5,7,9,11-12,17H,4,6,8,10H2,1-2H3
• InChIKey: MCUXKAIPVNSMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9182236
• LogD (pH = 7.4): 1.9323088
• Log P: 1.9324915
• Molar Refractivity: 106.2074 cm^3
• Polarizability: 35.9311 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: -0.24
• LOG S: -1.45
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2