N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide

• ChemBase ID: 415757
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c12c(n(nc1)c1ccc(C(C)(C)C)cc1)CCCC2NC(=O)CN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CC(=O)NC1CCCc2c1cnn2c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C24H34N4O2/c1-24(2,3)17-7-9-18(10-8-17)28-22-6-4-5-21(20(22)15-25-28)26-23(30)16-27-13-11-19(29)12-14-27/h7-10,15,19,21,29H,4-6,11-14,16H2,1-3H3,(H,26,30)
• InChIKey: IEXUPHZICUGSIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
• IUPAC Traditional name: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
• Synonyms: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-hydroxy-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.760216
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0236447
• LogD (pH = 7.4): 2.3720202
• Log P: 2.5111804
• Molar Refractivity: 120.3694 cm^3
• Polarizability: 46.76435 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.07
• LOG S: -4.97
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5