ChemSpider 2D Image | 6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-3-(1H-tetrazol-1-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-(1H-tetrazol-1-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 ID23299368

  • 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-(1H-tetrazol-1-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-(1H-tetrazol-1-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-(1H-tétrazol-1-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-(1H-tetrazol-1-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-(1H-tetrazol-1-ylmethyl)- [ACD/Index Name]
(R)-3-((1H-tetrazol-1-yl)methyl)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(4-methoxyphenyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395372/
Pyrazolopyridinone analogue, 33d

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: 1.90
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 20.57
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

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