N-[2-(cyclohex-1-en-1-yl)ethyl]-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 694306
• Molecular Formular: C23H36N4O
• Molecular Mass: 384.55814
• Monoisotopic Mass: 384.28891179
• SMILES: c1(c2c(n(n1)CC)CCC(C2)NCCC1=CCCCC1)C(=O)N1CCCCC1
• Canonical SMILES: CCn1nc(c2c1CCC(C2)NCCC1=CCCCC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H36N4O/c1-2-27-21-12-11-19(24-14-13-18-9-5-3-6-10-18)17-20(21)22(25-27)23(28)26-15-7-4-8-16-26/h9,19,24H,2-8,10-17H2,1H3
• InChIKey: FDPSTNIYDQKGJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-[2-(1-cyclohexen-1-yl)ethyl]-1-ethyl-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): 0.31452507
• LogD (pH = 7.4): 1.1500633
• Log P: 3.5227695
• Molar Refractivity: 127.2401 cm^3
• Polarizability: 43.82905 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.06
• LOG S: -5.83
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5