ChemSpider 2D Image | 3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile | C22H20N6

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile

  • Molecular FormulaC22H20N6
  • Average mass368.434 Da
  • Monoisotopic mass368.174957 Da
  • ChemSpider ID35035131

More details:

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

3-[4-(4-Methyl-1-piperazinyl)phenyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-6-carbonitril [German] [ACD/IUPAC Name]
3-[4-(4-Methyl-1-piperazinyl)phenyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridine-6-carbonitrile [ACD/IUPAC Name]
3-[4-(4-Méthyl-1-pipérazinyl)phényl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridine-6-carbonitrile [French] [ACD/IUPAC Name]
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
9H-Pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, 3-[4-(4-methyl-1-piperazinyl)phenyl]- [ACD/Index Name]
1200127-66-7 [RN]
3-(4-(4-Methylpiperazin-1-yl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
3DX
GNE-783
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3359895/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.756
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.77
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 36.33
ACD/KOC (pH 7.4): 373.14
Polar Surface Area: 72 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 267.2±5.0 cm3

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