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

• ChemBase ID: 852403
• Molecular Formular: C23H26FN5
• Molecular Mass: 391.4844432
• Monoisotopic Mass: 391.21722408
• SMILES: c12c(n(nc1)c1ncccc1)CCCC2NC1CCN(c2ccc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(cc1)N1CCC(CC1)NC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C23H26FN5/c24-17-7-9-19(10-8-17)28-14-11-18(12-15-28)27-21-4-3-5-22-20(21)16-26-29(22)23-6-1-2-13-25-23/h1-2,6-10,13,16,18,21,27H,3-5,11-12,14-15H2
• InChIKey: HQLPTMREDKXBOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6545984
• LogD (pH = 7.4): 1.8605686
• Log P: 3.807713
• Molar Refractivity: 114.2036 cm^3
• Polarizability: 42.78222 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.11
• LOG S: -5.61
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 4