N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 865856
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: c1(c2c(n(n1)C)CCC(C2)NC1CCCCC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nn(c2c1CC(CC2)NC1CCCCC1)C)N1CCCCC1
• InChI: InChI=1S/C20H32N4O/c1-23-18-11-10-16(21-15-8-4-2-5-9-15)14-17(18)19(22-23)20(25)24-12-6-3-7-13-24/h15-16,21H,2-14H2,1H3
• InChIKey: CCSYWCBWBNNOSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-cyclohexyl-1-methyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.33328626
• LogD (pH = 7.4): 0.30221194
• Log P: 2.8899133
• Molar Refractivity: 112.2327 cm^3
• Polarizability: 38.54503 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -4.82
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3