5-ethyl-N-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 517437
• Molecular Formular: C15H19N7
• Molecular Mass: 297.35826
• Monoisotopic Mass: 297.17019364
• SMILES: n12c(nc(cc1NCc1n3c(nn1)CCCC3)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2nnc3n2CCCC3)n2c(n1)ccn2
• InChI: InChI=1S/C15H19N7/c1-2-11-9-14(22-12(18-11)6-7-17-22)16-10-15-20-19-13-5-3-4-8-21(13)15/h6-7,9,16H,2-5,8,10H2,1H3
• InChIKey: ASCLHFKHMWJDCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.78354776
• LogD (pH = 7.4): 0.7839727
• Log P: 0.7839781
• Molar Refractivity: 96.3834 cm^3
• Polarizability: 30.993933 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.23
• LOG S: -2.42
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4