1-(cyclohexylmethyl)-N,N-dimethyl-5-[(pyridin-3-ylmethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 448736
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: c1(c2c(n(n1)CC1CCCCC1)CCC(C2)NCc1cnccc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)NCc1cccnc1)CC1CCCCC1)C
• InChI: InChI=1S/C23H33N5O/c1-27(2)23(29)22-20-13-19(25-15-18-9-6-12-24-14-18)10-11-21(20)28(26-22)16-17-7-4-3-5-8-17/h6,9,12,14,17,19,25H,3-5,7-8,10-11,13,15-16H2,1-2H3
• InChIKey: HSNXHWFKQRVTSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(pyridin-3-ylmethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(pyridin-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(3-pyridinylmethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.20084226
• LogD (pH = 7.4): 1.2349347
• Log P: 2.8613605
• Molar Refractivity: 127.2772 cm^3
• Polarizability: 44.282692 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.83
• LOG S: -4.91
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6