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

• ChemBase ID: 689048
• Molecular Formular: C23H24N6
• Molecular Mass: 384.47686
• Monoisotopic Mass: 384.2062448
• SMILES: n1(c2c(cn1)C(NCc1c(n3nccc3)ccc(c1)C)CCC2)c1ncccc1
• Canonical SMILES: Cc1ccc(c(c1)CNC1CCCc2c1cnn2c1ccccn1)n1cccn1
• InChI: InChI=1S/C23H24N6/c1-17-9-10-21(28-13-5-12-26-28)18(14-17)15-25-20-6-4-7-22-19(20)16-27-29(22)23-8-2-3-11-24-23/h2-3,5,8-14,16,20,25H,4,6-7,15H2,1H3
• InChIKey: NDVUDVFKKZCSTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-methyl-2-(1H-pyrazol-1-yl)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[5-methyl-2-(pyrazol-1-yl)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[5-methyl-2-(1H-pyrazol-1-yl)benzyl]-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): 1.1095175
• LogD (pH = 7.4): 2.6762738
• Log P: 4.070798
• Molar Refractivity: 116.0531 cm^3
• Polarizability: 44.21514 Å^3
• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.33
• LOG S: -5.3
• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 5