N-{[2-(furan-2-yl)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 649466
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: n1(c2c(cn1)C(NCc1c(c3occc3)cccc1)CCC2)c1ncccc1
• Canonical SMILES: c1ccc(nc1)n1ncc2c1CCCC2NCc1ccccc1c1ccco1
• InChI: InChI=1S/C23H22N4O/c1-2-8-18(22-11-6-14-28-22)17(7-1)15-25-20-9-5-10-21-19(20)16-26-27(21)23-12-3-4-13-24-23/h1-4,6-8,11-14,16,20,25H,5,9-10,15H2
• InChIKey: DYQMZYJGOGKJPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(furan-2-yl)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[2-(furan-2-yl)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[2-(2-furyl)benzyl]-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1536956
• LogD (pH = 7.4): 2.64423
• Log P: 4.17903
• Molar Refractivity: 110.1773 cm^3
• Polarizability: 43.208904 Å^3
• Polar Surface Area: 55.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.75
• LOG S: -4.43
• Polar Surface Area: 55.88 Å^2
• Rotatable Bonds: 5