ChemSpider 2D Image | 1-(3-Amino-1,2-benzoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one | C31H27F3N6O3

1-(3-Amino-1,2-benzoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

  • Molecular FormulaC31H27F3N6O3
  • Average mass588.580 Da
  • Monoisotopic mass588.209656 Da
  • ChemSpider ID5290503

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-Amino-1,2-benzoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-3-(trifluormethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
1-(3-Amino-1,2-benzoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
1-(3-Amino-1,2-benzoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]méthyl}-4-biphénylyl)-3-(trifluorométhyl)-1,4,5,6-tétrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [French] [ACD/IUPAC Name]
280118-23-2 [RN]
7H-Pyrazolo[3,4-c]pyridin-7-one, 1-(3-amino-1,2-benzisoxazol-5-yl)-1,4,5,6-tetrahydro-6-[2'-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl][1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)- [ACD/Index Name]
[280118-23-2] [RN]
1-(3-Amino-1,2-benz[d]isoxazol-5-yl)-3-trifluoromethyl-6-[4-[2-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]phenyl]phenyl]-1,4,5,6-tetrahy dro-7H-pyrazolo[3,4-c]pyridin-7-one
1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE
1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
1-(3-Amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
More...

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

BMS-740808 [DBID]
LDD74E663F [DBID]
UNII:LDD74E663F [DBID]
UNII-LDD74E663F [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.9±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 37.12
Polar Surface Area: 114 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement