diethyl({3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine

• ChemBase ID: 360185
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(c2n(nc1)cc(cn2)CN(CC)CC)C(=O)N1C(c2occc2)CCC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)N1CCCC1c1ccco1)CC
• InChI: InChI=1S/C20H25N5O2/c1-3-23(4-2)13-15-11-21-19-16(12-22-25(19)14-15)20(26)24-9-5-7-17(24)18-8-6-10-27-18/h6,8,10-12,14,17H,3-5,7,9,13H2,1-2H3
• InChIKey: IVLBOJNGYDXWMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine
• IUPAC Traditional name: diethyl({3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine
• Synonyms: N-ethyl-N-[(3-{[2-(2-furyl)pyrrolidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.96832925
• LogD (pH = 7.4): 0.79209983
• Log P: 1.856262
• Molar Refractivity: 114.9 cm^3
• Polarizability: 39.064148 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.24
• LOG S: -2.98
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 6