2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C30H36FN7OSi — CID 90181098

IUPAC2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cn(-c2ccc3c(cc(-c4nc5n(n4)CCCC5c4ccc(F)cc4C)n3COCC[Si](C)(C)C)n2)cn1
InChIInChI=1S/C30H36FN7OSi/c1-20-15-22(31)8-9-23(20)24-7-6-12-38-30(24)34-29(35-38)27-16-25-26(37(27)19-39-13-14-40(3,4)5)10-11-28(33-25)36-17-21(2)32-18-36/h8-11,15-18,24H,6-7,12-14,19H2,1-5H3
InChIKeyVBICEWYBHINFEN-UHFFFAOYSA-N
MW557.75 g/mol
LogP6.47
Rot. Bonds8

About 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90181098) has the molecular formula C30H36FN7OSi and a molecular weight of 557.75 g/mol. Its IUPAC name is 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90181098
Molecular FormulaC30H36FN7OSi
Molecular Weight557.75 g/mol
Exact Mass557.27
IUPAC Name2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cn(-c2ccc3c(cc(-c4nc5n(n4)CCCC5c4ccc(F)cc4C)n3COCC[Si](C)(C)C)n2)cn1
InChIInChI=1S/C30H36FN7OSi/c1-20-15-22(31)8-9-23(20)24-7-6-12-38-30(24)34-29(35-38)27-16-25-26(37(27)19-39-13-14-40(3,4)5)10-11-28(33-25)36-17-21(2)32-18-36/h8-11,15-18,24H,6-7,12-14,19H2,1-5H3
InChIKeyVBICEWYBHINFEN-UHFFFAOYSA-N
XLogP6.47
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.75
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 90181098) is 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cn(-c2ccc3c(cc(-c4nc5n(n4)CCCC5c4ccc(F)cc4C)n3COCC[Si](C)(C)C)n2)cn1.
What is the InChIKey of 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VBICEWYBHINFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN7OSi/c1-20-15-22(31)8-9-23(20)24-7-6-12-38-30(24)34-29(35-38)27-16-25-26(37(27)19-39-13-14-40(3,4)5)10-11-28(33-25)36-17-21(2)32-18-36/h8-11,15-18,24H,6-7,12-14,19H2,1-5H3.
What are the key properties of 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 557.75 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-(4-methylimidazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90181098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).