2-(4-fluorophenyl)-1-{5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine

• ChemBase ID: 631735
• Molecular Formular: C19H23FN4O
• Molecular Mass: 342.4105232
• Monoisotopic Mass: 342.1855896
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C19H23FN4O/c1-23-11-9-16-15(12-23)18(22-21-16)19(25)24-10-3-2-4-17(24)13-5-7-14(20)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,21,22)
• InChIKey: LXQYYBMCEKWJTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-{5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-{5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine
• Synonyms: 3-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.864062
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8360706
• LogD (pH = 7.4): 2.243595
• Log P: 2.4111657
• Molar Refractivity: 96.7266 cm^3
• Polarizability: 35.799904 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.81
• LOG S: -2.39
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 2