ChemSpider 2D Image | 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one | C29H34N8O2

1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

  • Molecular FormulaC29H34N8O2
  • Average mass526.633 Da
  • Monoisotopic mass526.280457 Da
  • ChemSpider ID114826635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
2376146-48-2 [RN]
2-Allyl-1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
2-Allyl-1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
2-Allyl-1-[(7R)-7-éthyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1-[(7R)-7-ethyl-6,7-dihydro-7-hydroxy-5H-cyclopenta[b]pyridin-2-yl]-1,2-dihydro-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)- [ACD/Index Name]
Azenosertib
Azenosertib (Zn-C3)
ZN-c3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.5±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 72.97
Polar Surface Area: 101 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 401.6±3.0 cm3

Click to predict properties on the Chemicalize site


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