N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 444308
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC(N1CCCC1)c1occc1)C
• Canonical SMILES: Cc1cc(NCC(c2ccco2)N2CCCC2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C19H25N5O/c1-13-11-18(24-19(21-13)14(2)15(3)22-24)20-12-16(17-7-6-10-25-17)23-8-4-5-9-23/h6-7,10-11,16,20H,4-5,8-9,12H2,1-3H3
• InChIKey: DVWQDQXYMHPKNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(2-furyl)-2-(1-pyrrolidinyl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6331289
• LogD (pH = 7.4): 1.1144968
• Log P: 2.2601323
• Molar Refractivity: 109.6787 cm^3
• Polarizability: 37.11035 Å^3
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.17
• LOG S: -3.37
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 5