N-benzyl-N,1-dimethyl-5-{[3-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 847159
• Molecular Formular: C24H35N5O2
• Molecular Mass: 425.567
• Monoisotopic Mass: 425.27907539
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCCCN1CCOCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(NCCCN1CCOCC1)CC2)C)Cc1ccccc1
• InChI: InChI=1S/C24H35N5O2/c1-27(18-19-7-4-3-5-8-19)24(30)23-21-17-20(9-10-22(21)28(2)26-23)25-11-6-12-29-13-15-31-16-14-29/h3-5,7-8,20,25H,6,9-18H2,1-2H3
• InChIKey: BLWIDKODUDGNRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N,1-dimethyl-5-{[3-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-N,1-dimethyl-5-{[3-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-benzyl-N,1-dimethyl-5-{[3-(4-morpholinyl)propyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9636703
• LogD (pH = 7.4): -0.5740967
• Log P: 1.8248535
• Molar Refractivity: 135.6481 cm^3
• Polarizability: 47.401848 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.5
• LOG S: -2.96
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 8