ChemSpider 2D Image | (1S,2S)-2-[2-({5-[(3S)-3-Methyl-1-piperazinyl]-2-pyridinyl}amino)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]cyclopentanol | C24H28N8O

(1S,2S)-2-[2-({5-[(3S)-3-Methyl-1-piperazinyl]-2-pyridinyl}amino)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]cyclopentanol

  • Molecular FormulaC24H28N8O
  • Average mass444.532 Da
  • Monoisotopic mass444.238617 Da
  • ChemSpider ID58895161

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S)-2-[2-({5-[(3S)-3-Methyl-1-piperazinyl]-2-pyridinyl}amino)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]cyclopentanol [German] [ACD/IUPAC Name]
(1S,2S)-2-[2-({5-[(3S)-3-Methyl-1-piperazinyl]-2-pyridinyl}amino)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]cyclopentanol [ACD/IUPAC Name]
(1S,2S)-2-[2-({5-[(3S)-3-Méthyl-1-pipérazinyl]-2-pyridinyl}amino)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]cyclopentanol [French] [ACD/IUPAC Name]
Cyclopentanol, 2-[2-[[5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl]amino]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]-, (1S,2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.8±35.7 °C
Index of Refraction: 1.793
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.66
Polar Surface Area: 104 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 293.7±7.0 cm3

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