N-(2,3-dihydro-1H-inden-2-yl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 412622
• Molecular Formular: C21H22N4
• Molecular Mass: 330.42618
• Monoisotopic Mass: 330.18444672
• SMILES: c12c(n(nc1)c1ncccc1)CCCC2NC1Cc2c(C1)cccc2
• Canonical SMILES: c1ccc(nc1)n1ncc2c1CCCC2NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C21H22N4/c1-2-7-16-13-17(12-15(16)6-1)24-19-8-5-9-20-18(19)14-23-25(20)21-10-3-4-11-22-21/h1-4,6-7,10-11,14,17,19,24H,5,8-9,12-13H2
• InChIKey: CQDXVDJSKKQDTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-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): 0.6928743
• LogD (pH = 7.4): 1.8183534
• Log P: 3.8598747
• Molar Refractivity: 100.385 cm^3
• Polarizability: 38.173584 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.6
• LOG S: -4.75
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 3