N-(9H-fluoren-2-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 850629
• Molecular Formular: C26H24N4
• Molecular Mass: 392.49556
• Monoisotopic Mass: 392.20009679
• SMILES: n1(c2c(cn1)C(NCc1cc3c(c4c(C3)cccc4)cc1)CCC2)c1ncccc1
• Canonical SMILES: c1ccc(nc1)n1ncc2c1CCCC2NCc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C26H24N4/c1-2-7-21-19(6-1)15-20-14-18(11-12-22(20)21)16-28-24-8-5-9-25-23(24)17-29-30(25)26-10-3-4-13-27-26/h1-4,6-7,10-14,17,24,28H,5,8-9,15-16H2
• InChIKey: STKRWLOCCHQWPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-2-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-(9H-fluoren-2-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(9H-fluoren-2-ylmethyl)-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.709757
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3267353
• LogD (pH = 7.4): 3.9374337
• Log P: 5.2373314
• Molar Refractivity: 121.4656 cm^3
• Polarizability: 47.432976 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.71
• LOG S: -6.21
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 4