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

• ChemBase ID: 583481
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c1(c2c(n(n1)CC)CCN(C2)Cc1c2c(ccc1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: CCn1nc(c2c1CCN(C2)Cc1cccc2c1cccc2)C(=O)N1CCCC1
• InChI: InChI=1S/C24H28N4O/c1-2-28-22-12-15-26(16-19-10-7-9-18-8-3-4-11-20(18)19)17-21(22)23(25-28)24(29)27-13-5-6-14-27/h3-4,7-11H,2,5-6,12-17H2,1H3
• InChIKey: HYZLGJSCYHHWLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-ethyl-5-(naphthalen-1-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[1-ethyl-5-(naphthalen-1-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• Synonyms: 1-ethyl-5-(1-naphthylmethyl)-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): 0.9949187
• LogD (pH = 7.4): 2.716343
• Log P: 3.234089
• Molar Refractivity: 128.6538 cm^3
• Polarizability: 45.4226 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.23
• LOG S: -4.56
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3