1-(cyclohexylmethyl)-N,N-dimethyl-5-{[2-(pyridin-4-yl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 791264
• Molecular Formular: C24H35N5O
• Molecular Mass: 409.5676
• Monoisotopic Mass: 409.28416077
• SMILES: c1(c2c(n(n1)CC1CCCCC1)CCC(C2)NCCc1ccncc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(NCCc1ccncc1)CC2)CC1CCCCC1)C
• InChI: InChI=1S/C24H35N5O/c1-28(2)24(30)23-21-16-20(26-15-12-18-10-13-25-14-11-18)8-9-22(21)29(27-23)17-19-6-4-3-5-7-19/h10-11,13-14,19-20,26H,3-9,12,15-17H2,1-2H3
• InChIKey: WQZOIIWPFRQQMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-{[2-(pyridin-4-yl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-{[2-(pyridin-4-yl)ethyl]amino}-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N,N-dimethyl-5-{[2-(4-pyridinyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26849908
• LogD (pH = 7.4): 0.8651925
• Log P: 3.1500218
• Molar Refractivity: 132.0322 cm^3
• Polarizability: 46.04917 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.75
• LOG S: -5.35
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7