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Search term: BLIMNWSQDQYNMP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole-9-carboxamide | C29H27F2N7O

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole-9-carboxamide

  • Molecular FormulaC29H27F2N7O
  • Average mass527.568 Da
  • Monoisotopic mass527.224487 Da
  • ChemSpider ID9343595

More details:

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

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole-9-carboxamide [ACD/IUPAC Name]
4-{4-[2-(3,4-Difluorophényl)éthyl]-1-pipérazinyl}-5-(4-pyridinylméthyl)-5H-pyrimido[5,4-b]indole-9-carboxamide [French] [ACD/IUPAC Name]
4-{4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl}-5-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indole-9-carboxamide
4-{4-[2-(3,4-Difluorphenyl)ethyl]-1-piperazinyl}-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indol-9-carboxamid [German] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole-9-carboxamide, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-5-(4-pyridinylmethyl)- [ACD/Index Name]
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5-pyridin-4-ylmethyl-5H-pyrimido[5,4-b]indole-9-carboxylic acid amide
CHEMBL283255
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL283255/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 33.09
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 139.10
ACD/KOC (pH 7.4): 1134.39
Polar Surface Area: 93 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 374.0±7.0 cm3

Click to predict properties on the Chemicalize site


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