N-(2-methoxyethyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 568545
• Molecular Formular: C20H35N5O2
• Molecular Mass: 377.5242
• Monoisotopic Mass: 377.27907539
• SMILES: c1(c2c(n(n1)CCC)CCC(C2)N(CCOC)C)C(=O)N1CCN(CC1)C
• Canonical SMILES: CCCn1nc(c2c1CCC(C2)N(CCOC)C)C(=O)N1CCN(CC1)C
• InChI: InChI=1S/C20H35N5O2/c1-5-8-25-18-7-6-16(23(3)13-14-27-4)15-17(18)19(21-25)20(26)24-11-9-22(2)10-12-24/h16H,5-15H2,1-4H3
• InChIKey: KAKOSJZBPHLTSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-(2-methoxyethyl)-N-methyl-3-[(4-methyl-1-piperazinyl)carbonyl]-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.8253245
• LogD (pH = 7.4): 0.025222687
• Log P: 1.3027989
• Molar Refractivity: 120.7374 cm^3
• Polarizability: 41.49926 Å^3
• Polar Surface Area: 53.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.05
• LOG S: -1.29
• Polar Surface Area: 53.84 Å^2
• Rotatable Bonds: 4