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

• ChemBase ID: 313439
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c1(c2c(n(n1)CC)CCN(C(=O)c1c(ccs1)C)C2)C(=O)N1CCCC1
• Canonical SMILES: CCn1nc(c2c1CCN(C2)C(=O)c1sccc1C)C(=O)N1CCCC1
• InChI: InChI=1S/C19H24N4O2S/c1-3-23-15-6-10-22(19(25)17-13(2)7-11-26-17)12-14(15)16(20-23)18(24)21-8-4-5-9-21/h7,11H,3-6,8-10,12H2,1-2H3
• InChIKey: JOHDPKOLAQJMCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-ethyl-5-(3-methylthiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[1-ethyl-5-(3-methylthiophene-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]pyrrolidine
• Synonyms: 1-ethyl-5-[(3-methyl-2-thienyl)carbonyl]-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): 2.02751
• LogD (pH = 7.4): 2.0275104
• Log P: 2.0275104
• Molar Refractivity: 114.4638 cm^3
• Polarizability: 37.915844 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -4.52
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2