2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C32H36ClF2N7O2Si — CID 164870571

IUPAC2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CC(N7CC(F)(F)C7)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C32H36ClF2N7O2Si/c1-20-38-25-6-5-24(13-28(25)41(20)19-43-9-10-45(2,3)4)44-29-8-7-26-31(30(29)33)39-27(15-36-26)21-14-37-42(16-21)23-11-22(12-23)40-17-32(34,35)18-40/h5-8,13-16,22-23H,9-12,17-19H2,1-4H3
InChIKeyZLRQSLZOKGEUSX-UHFFFAOYSA-N
MW652.22 g/mol
LogP7.56
Rot. Bonds10

About 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870571) has the molecular formula C32H36ClF2N7O2Si and a molecular weight of 652.22 g/mol. Its IUPAC name is 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870571
Molecular FormulaC32H36ClF2N7O2Si
Molecular Weight652.22 g/mol
Exact Mass651.24
IUPAC Name2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CC(N7CC(F)(F)C7)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C32H36ClF2N7O2Si/c1-20-38-25-6-5-24(13-28(25)41(20)19-43-9-10-45(2,3)4)44-29-8-7-26-31(30(29)33)39-27(15-36-26)21-14-37-42(16-21)23-11-22(12-23)40-17-32(34,35)18-40/h5-8,13-16,22-23H,9-12,17-19H2,1-4H3
InChIKeyZLRQSLZOKGEUSX-UHFFFAOYSA-N
XLogP7.56
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.22
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870571) is 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CC(N7CC(F)(F)C7)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZLRQSLZOKGEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClF2N7O2Si/c1-20-38-25-6-5-24(13-28(25)41(20)19-43-9-10-45(2,3)4)44-29-8-7-26-31(30(29)33)39-27(15-36-26)21-14-37-42(16-21)23-11-22(12-23)40-17-32(34,35)18-40/h5-8,13-16,22-23H,9-12,17-19H2,1-4H3.
What are the key properties of 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 652.22 g/mol, XLogP of 7.56, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-chloro-3-[1-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).