5-ethyl-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

• ChemBase ID: 577136
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(cc(oc1CC)C(=O)NC(c1n(ncc1)C)COC)CN1CCCC1
• Canonical SMILES: COCC(c1ccnn1C)NC(=O)c1cc(c(o1)CC)CN1CCCC1
• InChI: InChI=1S/C19H28N4O3/c1-4-17-14(12-23-9-5-6-10-23)11-18(26-17)19(24)21-15(13-25-3)16-7-8-20-22(16)2/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,21,24)
• InChIKey: MRFPXSJFWOLMNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-ethyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• Synonyms: 5-ethyl-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.302274
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3200954
• LogD (pH = 7.4): 0.4530485
• Log P: 1.2622126
• Molar Refractivity: 112.2886 cm^3
• Polarizability: 38.04246 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.3
• LOG S: -2.94
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 8