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

• ChemBase ID: 600033
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: c1(c2c(n(n1)CC)CCN(C2)CC(C)C)C(=O)N1CCCC1
• Canonical SMILES: CCn1nc(c2c1CCN(C2)CC(C)C)C(=O)N1CCCC1
• InChI: InChI=1S/C17H28N4O/c1-4-21-15-7-10-19(11-13(2)3)12-14(15)16(18-21)17(22)20-8-5-6-9-20/h13H,4-12H2,1-3H3
• InChIKey: SOIHRSRXNSPFMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-ethyl-5-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[1-ethyl-5-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• Synonyms: 1-ethyl-5-isobutyl-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): -0.6076334
• LogD (pH = 7.4): 1.1427087
• Log P: 1.7644422
• Molar Refractivity: 101.3352 cm^3
• Polarizability: 33.823917 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: 1.75
• LOG S: -2.9
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2