ChemSpider 2D Image | 6-[(3S)-3-Amino-1-piperidinyl]-5-benzyl-4-oxo-3-(4-quinolinylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile | C29H27N7O

6-[(3S)-3-Amino-1-piperidinyl]-5-benzyl-4-oxo-3-(4-quinolinylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

  • Molecular FormulaC29H27N7O
  • Average mass489.571 Da
  • Monoisotopic mass489.227722 Da
  • ChemSpider ID28495675

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3H-Pyrrolo[3,2-d]pyrimidine-7-carbonitrile, 6-[(3S)-3-amino-1-piperidinyl]-4,5-dihydro-4-oxo-5-(phenylmethyl)-3-(4-quinolinylmethyl)- [ACD/Index Name]
6-[(3S)-3-Amino-1-piperidinyl]-5-benzyl-3-(4-chinolinylmethyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-carbonitril [German] [ACD/IUPAC Name]
6-[(3S)-3-Amino-1-pipéridinyl]-5-benzyl-4-oxo-3-(4-quinoléinylméthyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile [French] [ACD/IUPAC Name]
6-[(3S)-3-Amino-1-piperidinyl]-5-benzyl-4-oxo-3-(4-quinolinylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile [ACD/IUPAC Name]
6-[(3s)-3-Aminopiperidin-1-Yl]-5-Benzyl-4-Oxo-3-(Quinolin-4-Ylmethyl)-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidine-7-Carbonitrile
N7F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.9±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 104 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 360.3±7.0 cm3

Click to predict properties on the Chemicalize site


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