N-benzyl-5-(4-ethylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 444964
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: c1(c2c(n(n1)C)CCC(C2)N1CCN(CC1)CC)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CCN1CCN(CC1)C1CCc2c(C1)c(nn2C)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C23H33N5O/c1-4-27-12-14-28(15-13-27)19-10-11-21-20(16-19)22(24-26(21)3)23(29)25(2)17-18-8-6-5-7-9-18/h5-9,19H,4,10-17H2,1-3H3
• InChIKey: GDPWPYDGKKZIOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-(4-ethylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-(4-ethylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-benzyl-5-(4-ethyl-1-piperazinyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2185635
• LogD (pH = 7.4): 1.5496522
• Log P: 2.5517251
• Molar Refractivity: 129.7825 cm^3
• Polarizability: 44.869957 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0
• Log P: 1.05
• LOG S: -2.5