N-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 586260
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: n1(c2c(cn1)C(NCc1cc(c(cc1)OC)COCC)CCC2)c1ncccc1
• Canonical SMILES: CCOCc1cc(CNC2CCCc3c2cnn3c2ccccn2)ccc1OC
• InChI: InChI=1S/C23H28N4O2/c1-3-29-16-18-13-17(10-11-22(18)28-2)14-25-20-7-6-8-21-19(20)15-26-27(21)23-9-4-5-12-24-23/h4-5,9-13,15,20,25H,3,6-8,14,16H2,1-2H3
• InChIKey: LUAPCLLUHBRDPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[3-(ethoxymethyl)-4-methoxybenzyl]-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6816519
• LogD (pH = 7.4): 2.3234987
• Log P: 3.5464714
• Molar Refractivity: 115.4291 cm^3
• Polarizability: 44.081947 Å^3
• Polar Surface Area: 61.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.01
• LOG S: -4.66
• Polar Surface Area: 61.2 Å^2
• Rotatable Bonds: 5