5-ethyl-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 556438
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: n12c(nc(cc1NCC(N1CCCC1)c1occc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCC(c2ccco2)N2CCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C18H23N5O/c1-2-14-12-18(23-17(21-14)7-8-20-23)19-13-15(16-6-5-11-24-16)22-9-3-4-10-22/h5-8,11-12,15,19H,2-4,9-10,13H2,1H3
• InChIKey: MUXSFEQZYCBBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[2-(2-furyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.57217276
• LogD (pH = 7.4): 1.1763853
• Log P: 2.3158765
• Molar Refractivity: 104.6729 cm^3
• Polarizability: 35.42942 Å^3
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.78
• LOG S: -2.94
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 6