5-(4-cyclopentylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 610861
• Molecular Formular: C24H35N5O2
• Molecular Mass: 425.567
• Monoisotopic Mass: 425.27907539
• SMILES: c1(c2c(n(n1)C)CCC(C2)N1CCN(CC1)C1CCCC1)C(=O)N(Cc1occc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)N1CCN(CC1)C1CCCC1)C)Cc1ccco1
• InChI: InChI=1S/C24H35N5O2/c1-26(17-20-8-5-15-31-20)24(30)23-21-16-19(9-10-22(21)27(2)25-23)29-13-11-28(12-14-29)18-6-3-4-7-18/h5,8,15,18-19H,3-4,6-7,9-14,16-17H2,1-2H3
• InChIKey: KPRQRNQPMCIWFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-cyclopentylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-(4-cyclopentylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(4-cyclopentyl-1-piperazinyl)-N-(2-furylmethyl)-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): -0.58704674
• LogD (pH = 7.4): 1.0112889
• Log P: 2.6098657
• Molar Refractivity: 133.838 cm^3
• Polarizability: 46.533 Å^3
• Polar Surface Area: 57.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.08
• LOG S: -2.98
• Polar Surface Area: 57.75 Å^2
• Rotatable Bonds: 5