1-(4-fluorophenyl)-N-(1H-indol-2-ylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 652595
• Molecular Formular: C24H25FN4
• Molecular Mass: 388.4805032
• Monoisotopic Mass: 388.20632504
• SMILES: c12c(cnn1c1ccc(cc1)F)C(NCc1[nH]c3c(c1)cccc3)CC(C2)(C)C
• Canonical SMILES: Fc1ccc(cc1)n1ncc2c1CC(C)(C)CC2NCc1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H25FN4/c1-24(2)12-22(26-14-18-11-16-5-3-4-6-21(16)28-18)20-15-27-29(23(20)13-24)19-9-7-17(25)8-10-19/h3-11,15,22,26,28H,12-14H2,1-2H3
• InChIKey: ZTBOJCYKMUSQMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-N-(1H-indol-2-ylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)-N-(1H-indol-2-ylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
• Synonyms: 1-(4-fluorophenyl)-N-(1H-indol-2-ylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.665522
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0762298
• LogD (pH = 7.4): 3.7649436
• Log P: 4.843304
• Molar Refractivity: 114.6977 cm^3
• Polarizability: 45.498043 Å^3
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.84
• LOG S: -6.19
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 4