N-(1H-indazol-6-yl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide

• ChemBase ID: 361815
• Molecular Formular: C19H28N6O
• Molecular Mass: 356.46522
• Monoisotopic Mass: 356.23245955
• SMILES: C(=O)(N1CCN(CC2CN(CCC2)C)CC1)Nc1cc2[nH]ncc2cc1
• Canonical SMILES: CN1CCCC(C1)CN1CCN(CC1)C(=O)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C19H28N6O/c1-23-6-2-3-15(13-23)14-24-7-9-25(10-8-24)19(26)21-17-5-4-16-12-20-22-18(16)11-17/h4-5,11-12,15H,2-3,6-10,13-14H2,1H3,(H,20,22)(H,21,26)
• InChIKey: FSUKMEFPROGLJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
• Synonyms: N-1H-indazol-6-yl-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.826625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.278075
• LogD (pH = 7.4): -1.068471
• Log P: 1.0239078
• Molar Refractivity: 105.6266 cm^3
• Polarizability: 40.6688 Å^3
• Polar Surface Area: 67.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.23
• LOG S: -2.85
• Polar Surface Area: 67.5 Å^2
• Rotatable Bonds: 3