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Search term: UAIGJMNMKWFEGL-AREMUKBSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one | C32H32N8O3

6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

  • Molecular FormulaC32H32N8O3
  • Average mass576.648 Da
  • Monoisotopic mass576.259766 Da
  • ChemSpider ID23299369

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]méthyl}-4-biphénylyl)-1-(4-méthoxyphényl)-3-(2H-tétrazol-2-ylméthyl)-1,4,5,6-tétrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [French] [ACD/IUPAC Name]
6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
7H-Pyrazolo[3,4-c]pyridin-7-one, 1,4,5,6-tetrahydro-6-[2'-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl][1,1'-biphenyl]-4-yl]-1-(4-methoxyphenyl)-3-(2H-tetrazol-2-ylmethyl)- [ACD/Index Name]
(R)-3-((2H-tetrazol-2-yl)methyl)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(4-methoxyphenyl)-5,6-dihydro-1Hpyrazolo[3,4-c]pyridin-7(4H)-one
Pyrazolopyridinone analogue, 33e

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 842.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 463.0±37.1 °C
Index of Refraction: 1.729
Molar Refractivity: 163.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 23.45
Polar Surface Area: 114 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 409.3±7.0 cm3

Click to predict properties on the Chemicalize site


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