1-(piperidin-1-yl)-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclohexane-1-carboxamide

• ChemBase ID: 608029
• Molecular Formular: C24H33N5O
• Molecular Mass: 407.55172
• Monoisotopic Mass: 407.2685107
• SMILES: c12c(n(nc1)c1ncccc1)CCCC2NC(=O)C1(N2CCCCC2)CCCCC1
• Canonical SMILES: O=C(C1(CCCCC1)N1CCCCC1)NC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C24H33N5O/c30-23(24(13-4-1-5-14-24)28-16-7-2-8-17-28)27-20-10-9-11-21-19(20)18-26-29(21)22-12-3-6-15-25-22/h3,6,12,15,18,20H,1-2,4-5,7-11,13-14,16-17H2,(H,27,30)
• InChIKey: JKVXLAWMRNYIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-yl)-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclohexane-1-carboxamide
• IUPAC Traditional name: 1-(piperidin-1-yl)-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-yl]cyclohexane-1-carboxamide
• Synonyms: 1-(1-piperidinyl)-N-[1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.730999
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8527438
• LogD (pH = 7.4): 2.5472903
• Log P: 3.9026334
• Molar Refractivity: 119.3318 cm^3
• Polarizability: 45.769165 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.49
• LOG S: -5.18
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4