5-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 699008
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: c1(c2CN(c3n4c(nc(c3)CC)ccn4)CCc2on1)C(=O)N(C)C
• Canonical SMILES: CCc1cc(N2CCc3c(C2)c(no3)C(=O)N(C)C)n2c(n1)ccn2
• InChI: InChI=1S/C17H20N6O2/c1-4-11-9-15(23-14(19-11)5-7-18-23)22-8-6-13-12(10-22)16(20-25-13)17(24)21(2)3/h5,7,9H,4,6,8,10H2,1-3H3
• InChIKey: RZHIHVRIDIXVQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1862168
• LogD (pH = 7.4): 1.1862624
• Log P: 1.186263
• Molar Refractivity: 104.5258 cm^3
• Polarizability: 34.011833 Å^3
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.6
• LOG S: -2.48
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 3