N-benzyl-5-(4-cyclopentylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 512282
• Molecular Formular: C26H37N5O
• Molecular Mass: 435.60488
• Monoisotopic Mass: 435.29981083
• SMILES: c1(c2c(n(n1)C)CCC(C2)N1CCN(CC1)C1CCCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)N1CCN(CC1)C1CCCC1)C)Cc1ccccc1
• InChI: InChI=1S/C26H37N5O/c1-28(19-20-8-4-3-5-9-20)26(32)25-23-18-22(12-13-24(23)29(2)27-25)31-16-14-30(15-17-31)21-10-6-7-11-21/h3-5,8-9,21-22H,6-7,10-19H2,1-2H3
• InChIKey: DHVLJUOBXNZDMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-(4-cyclopentylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-(4-cyclopentylpiperazin-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-benzyl-5-(4-cyclopentyl-1-piperazinyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.35270566
• LogD (pH = 7.4): 1.9510405
• Log P: 3.549619
• Molar Refractivity: 141.4471 cm^3
• Polarizability: 49.6681 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.9
• LOG S: -3.8
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5