N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-5,6,7,8-tetrahydroquinoxalin-5-amine

• ChemBase ID: 376589
• Molecular Formular: C16H18N6
• Molecular Mass: 294.35432
• Monoisotopic Mass: 294.15929461
• SMILES: c1(n2c(nc(c1)CC)ccn2)NC1c2nccnc2CCC1
• Canonical SMILES: CCc1cc(NC2CCCc3c2nccn3)n2c(n1)ccn2
• InChI: InChI=1S/C16H18N6/c1-2-11-10-15(22-14(20-11)6-7-19-22)21-13-5-3-4-12-16(13)18-9-8-17-12/h6-10,13,21H,2-5H2,1H3
• InChIKey: NDRUGQPMXIFLMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-5,6,7,8-tetrahydroquinoxalin-5-amine
• IUPAC Traditional name: N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-5,6,7,8-tetrahydroquinoxalin-5-amine
• Synonyms: N-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-5,6,7,8-tetrahydro-5-quinoxalinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4323889
• LogD (pH = 7.4): 1.4324453
• Log P: 1.432446
• Molar Refractivity: 94.0488 cm^3
• Polarizability: 31.488121 Å^3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.88
• LOG S: -2.95
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 3