N-[(3-fluorophenyl)methyl]-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 373870
• Molecular Formular: C19H19FN4
• Molecular Mass: 322.3793632
• Monoisotopic Mass: 322.15937485
• SMILES: n1(c2c(cn1)C(NCc1cc(F)ccc1)CCC2)c1ncccc1
• Canonical SMILES: Fc1cccc(c1)CNC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C19H19FN4/c20-15-6-3-5-14(11-15)12-22-17-7-4-8-18-16(17)13-23-24(18)19-9-1-2-10-21-19/h1-3,5-6,9-11,13,17,22H,4,7-8,12H2
• InChIKey: DMUOKMPZYLWWEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-fluorophenyl)methyl]-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-[(3-fluorophenyl)methyl]-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(3-fluorobenzyl)-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.81574726
• LogD (pH = 7.4): 2.4918685
• Log P: 3.61426
• Molar Refractivity: 92.8666 cm^3
• Polarizability: 35.000237 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.92
• LOG S: -4.25
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 4