1-[1-ethyl-5-(furan-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine

• ChemBase ID: 384551
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(c2c(n(n1)CC)CCN(C2)Cc1cocc1)C(=O)N1CCCC1
• Canonical SMILES: CCn1nc(c2c1CCN(C2)Cc1cocc1)C(=O)N1CCCC1
• InChI: InChI=1S/C18H24N4O2/c1-2-22-16-5-9-20(11-14-6-10-24-13-14)12-15(16)17(19-22)18(23)21-7-3-4-8-21/h6,10,13H,2-5,7-9,11-12H2,1H3
• InChIKey: BWPJLBKXNCRMRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-ethyl-5-(furan-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[1-ethyl-5-(furan-3-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• Synonyms: 1-ethyl-5-(3-furylmethyl)-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25703478
• LogD (pH = 7.4): 1.3215269
• Log P: 1.3848577
• Molar Refractivity: 104.717 cm^3
• Polarizability: 34.77069 Å^3
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.23
• LOG S: -2.34
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 3