1-benzyl-N,N-dimethyl-5-{[2-methyl-2-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 518100
• Molecular Formular: C25H37N5O2
• Molecular Mass: 439.59358
• Monoisotopic Mass: 439.29472545
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCC(C2)NCC(N1CCOCC1)(C)C)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(NCC(N1CCOCC1)(C)C)CC2)Cc1ccccc1)C
• InChI: InChI=1S/C25H37N5O2/c1-25(2,29-12-14-32-15-13-29)18-26-20-10-11-22-21(16-20)23(24(31)28(3)4)27-30(22)17-19-8-6-5-7-9-19/h5-9,20,26H,10-18H2,1-4H3
• InChIKey: RYEDWZWGVVUTLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N,N-dimethyl-5-{[2-methyl-2-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-benzyl-N,N-dimethyl-5-{[2-methyl-2-(morpholin-4-yl)propyl]amino}-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-benzyl-N,N-dimethyl-5-{[2-methyl-2-(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): -0.8417067
• LogD (pH = 7.4): 0.22932678
• Log P: 2.4620454
• Molar Refractivity: 139.8397 cm^3
• Polarizability: 49.24442 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.4
• LOG S: -3.38
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 7