N-(4-fluorophenyl)-1-(1H-indazole-3-carbonyl)piperidin-3-amine

• ChemBase ID: 604350
• Molecular Formular: C19H19FN4O
• Molecular Mass: 338.3787632
• Monoisotopic Mass: 338.15428947
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N1CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C19H19FN4O/c20-13-7-9-14(10-8-13)21-15-4-3-11-24(12-15)19(25)18-16-5-1-2-6-17(16)22-23-18/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23)
• InChIKey: VXSIDXQQLKBSCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(1H-indazole-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(1H-indazole-3-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-(1H-indazol-3-ylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.197165
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8040862
• LogD (pH = 7.4): 2.861448
• Log P: 2.862916
• Molar Refractivity: 96.2833 cm^3
• Polarizability: 36.348175 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.57
• LOG S: -5.33
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 3