N-benzyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 451064
• Molecular Formular: C23H32N4O2
• Molecular Mass: 396.52578
• Monoisotopic Mass: 396.25252628
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)NCc1ccccc1)C(=O)N1CCOCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCC(C2)NCc1ccccc1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C23H32N4O2/c1-17(2)16-27-21-9-8-19(24-15-18-6-4-3-5-7-18)14-20(21)22(25-27)23(28)26-10-12-29-13-11-26/h3-7,17,19,24H,8-16H2,1-2H3
• InChIKey: ARSPNFJMLSKTKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-benzyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-benzyl-1-isobutyl-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.17390513
• LogD (pH = 7.4): 0.96329993
• Log P: 2.9905524
• Molar Refractivity: 126.5078 cm^3
• Polarizability: 44.033115 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.3
• LOG S: -4.25
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5