1-{1-[3-(3-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-yl}pyrrolidine

• ChemBase ID: 540345
• Molecular Formular: C19H25FN4
• Molecular Mass: 328.4270032
• Monoisotopic Mass: 328.20632504
• SMILES: c12c(n[nH]c1CCN(C2)CC(N1CCCC1)C)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1n[nH]c2c1CN(CC2)CC(N1CCCC1)C
• InChI: InChI=1S/C19H25FN4/c1-14(24-8-2-3-9-24)12-23-10-7-18-17(13-23)19(22-21-18)15-5-4-6-16(20)11-15/h4-6,11,14H,2-3,7-10,12-13H2,1H3,(H,21,22)
• InChIKey: OGDYMRVSLINQIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[3-(3-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-yl}pyrrolidine
• IUPAC Traditional name: 1-{1-[3-(3-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-yl}pyrrolidine
• Synonyms: 3-(3-fluorophenyl)-5-(2-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.334354
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5308159
• LogD (pH = 7.4): 0.5662006
• Log P: 2.9668093
• Molar Refractivity: 96.5451 cm^3
• Polarizability: 37.67164 Å^3
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.35
• LOG S: -3.45
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4