2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C30H34F2N6O3Si — CID 164870885

IUPAC2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(C6CCCCO6)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H34F2N6O3Si/c1-19-35-25-14-22(31)30(28(32)29(25)37(19)18-39-11-12-42(2,3)4)41-21-8-9-23-24(13-21)36-26(16-33-23)20-15-34-38(17-20)27-7-5-6-10-40-27/h8-9,13-17,27H,5-7,10-12,18H2,1-4H3
InChIKeyVAEMOQDOKAVKAQ-UHFFFAOYSA-N
MW592.72 g/mol
LogP7.23
Rot. Bonds9

About 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870885) has the molecular formula C30H34F2N6O3Si and a molecular weight of 592.72 g/mol. Its IUPAC name is 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870885
Molecular FormulaC30H34F2N6O3Si
Molecular Weight592.72 g/mol
Exact Mass592.24
IUPAC Name2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(C6CCCCO6)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H34F2N6O3Si/c1-19-35-25-14-22(31)30(28(32)29(25)37(19)18-39-11-12-42(2,3)4)41-21-8-9-23-24(13-21)36-26(16-33-23)20-15-34-38(17-20)27-7-5-6-10-40-27/h8-9,13-17,27H,5-7,10-12,18H2,1-4H3
InChIKeyVAEMOQDOKAVKAQ-UHFFFAOYSA-N
XLogP7.23
TPSA89.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.72
LogP ≤ 57.23
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-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870885) is 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(C6CCCCO6)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VAEMOQDOKAVKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O3Si/c1-19-35-25-14-22(31)30(28(32)29(25)37(19)18-39-11-12-42(2,3)4)41-21-8-9-23-24(13-21)36-26(16-33-23)20-15-34-38(17-20)27-7-5-6-10-40-27/h8-9,13-17,27H,5-7,10-12,18H2,1-4H3.
What are the key properties of 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 592.72 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).