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

• ChemBase ID: 378567
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: c1(c2c(n(n1)CC)CCC(C2)N(Cc1ccccc1)C)C(=O)N1CCCCC1
• Canonical SMILES: CCn1nc(c2c1CCC(C2)N(Cc1ccccc1)C)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H32N4O/c1-3-27-21-13-12-19(25(2)17-18-10-6-4-7-11-18)16-20(21)22(24-27)23(28)26-14-8-5-9-15-26/h4,6-7,10-11,19H,3,5,8-9,12-17H2,1-2H3
• InChIKey: YYVOJZMTXQJAMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25750807
• LogD (pH = 7.4): 1.7339953
• Log P: 3.5549717
• Molar Refractivity: 125.8744 cm^3
• Polarizability: 43.343914 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -4.39
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4