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

• ChemBase ID: 772304
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1CC(OCc2ncccc2)CCC1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C20H23N5O2/c1-14-10-19-22-18(11-15(2)25(19)23-14)20(26)24-9-5-7-17(12-24)27-13-16-6-3-4-8-21-16/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3
• InChIKey: XLTDUIWOAFNDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6662804
• LogD (pH = 7.4): 1.6745026
• Log P: 1.6746085
• Molar Refractivity: 112.2028 cm^3
• Polarizability: 38.472427 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.53
• LOG S: -1.02
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 4