ethyl 1-ethyl-5-(furan-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate

• ChemBase ID: 383159
• Molecular Formular: C16H19N3O4
• Molecular Mass: 317.33976
• Monoisotopic Mass: 317.1375561
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1occc1)CC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nn(c2c1CN(CC2)C(=O)c1ccco1)CC
• InChI: InChI=1S/C16H19N3O4/c1-3-19-12-7-8-18(15(20)13-6-5-9-23-13)10-11(12)14(17-19)16(21)22-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3
• InChIKey: QOSKIQYQNLHROV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-ethyl-5-(furan-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 1-ethyl-5-(furan-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• Synonyms: ethyl 1-ethyl-5-(2-furoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1179492
• LogD (pH = 7.4): 1.1179494
• Log P: 1.1179494
• Molar Refractivity: 95.2847 cm^3
• Polarizability: 31.195612 Å^3
• Polar Surface Area: 77.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.56
• LOG S: -4.2
• Polar Surface Area: 77.57 Å^2
• Rotatable Bonds: 2