N-[2-(1H-indol-1-yl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 827384
• Molecular Formular: C17H17N5
• Molecular Mass: 291.35038
• Monoisotopic Mass: 291.14839557
• SMILES: n12c(nc(cc1NCCn1ccc3c1cccc3)C)ccn2
• Canonical SMILES: Cc1cc(NCCn2ccc3c2cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C17H17N5/c1-13-12-17(22-16(20-13)6-8-19-22)18-9-11-21-10-7-14-4-2-3-5-15(14)21/h2-8,10,12,18H,9,11H2,1H3
• InChIKey: ZPIKFLGABOOXCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4705205
• LogD (pH = 7.4): 2.4705703
• Log P: 2.4705708
• Molar Refractivity: 97.8844 cm^3
• Polarizability: 33.70731 Å^3
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.36
• LOG S: -5.3
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 4