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

• ChemBase ID: 420515
• Molecular Formular: C15H18N4OS
• Molecular Mass: 302.39462
• Monoisotopic Mass: 302.12013222
• SMILES: c12c(n[nH]c2CCN(C(=O)N2CCCC2)C1)c1sccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)c1cccs1)N1CCCC1
• InChI: InChI=1S/C15H18N4OS/c20-15(18-6-1-2-7-18)19-8-5-12-11(10-19)14(17-16-12)13-4-3-9-21-13/h3-4,9H,1-2,5-8,10H2,(H,16,17)
• InChIKey: ZFWNIXCGAYGDSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[3-(thiophen-2-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidine
• Synonyms: 5-(pyrrolidin-1-ylcarbonyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.889958
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5067171
• LogD (pH = 7.4): 1.5067352
• Log P: 1.5067369
• Molar Refractivity: 83.522 cm^3
• Polarizability: 32.368053 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.81
• LOG S: -3.81
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 1