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

• ChemBase ID: 602403
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: c1(c2c(n(n1)CC)CCN(C2)C(C)C)C(=O)N1CCCC1
• Canonical SMILES: CCn1nc(c2c1CCN(C2)C(C)C)C(=O)N1CCCC1
• InChI: InChI=1S/C16H26N4O/c1-4-20-14-7-10-19(12(2)3)11-13(14)15(17-20)16(21)18-8-5-6-9-18/h12H,4-11H2,1-3H3
• InChIKey: MDLCJFFIGZJTOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-ethyl-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-{1-ethyl-5-isopropyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine
• Synonyms: 1-ethyl-5-isopropyl-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.70950013
• LogD (pH = 7.4): 0.9326761
• Log P: 1.293522
• Molar Refractivity: 96.7584 cm^3
• Polarizability: 31.983992 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 1
• H Acceptors: 4
• H Donor: 0
• Log P: 1.13
• LOG S: -2.37