5-(cyclohexylamino)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 553559
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(c2c(n(n1)C)CCC(C2)NC1CCCCC1)C(=O)N(Cc1occc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)NC1CCCCC1)C)Cc1ccco1
• InChI: InChI=1S/C21H30N4O2/c1-24(14-17-9-6-12-27-17)21(26)20-18-13-16(10-11-19(18)25(2)23-20)22-15-7-4-3-5-8-15/h6,9,12,15-16,22H,3-5,7-8,10-11,13-14H2,1-2H3
• InChIKey: ZXIULPHLXNEMTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclohexylamino)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-(cyclohexylamino)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(cyclohexylamino)-N-(2-furylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39893138
• LogD (pH = 7.4): 0.23658814
• Log P: 2.824267
• Molar Refractivity: 117.0942 cm^3
• Polarizability: 40.211914 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.04
• LOG S: -4.31
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5