2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C28H37FN6OSi — CID 159662293

IUPAC2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCC1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3ccc4nn(C)cc4c3F)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C28H37FN6OSi/c1-18-12-19-6-7-20(13-18)35(19)25-14-30-27-22(21-8-9-24-23(26(21)29)15-33(2)32-24)16-34(28(27)31-25)17-36-10-11-37(3,4)5/h8-9,14-16,18-20H,6-7,10-13,17H2,1-5H3/t18?,19-,20+
InChIKeyMSYURUASUVAWIS-IHWFROFDSA-N
MW520.73 g/mol
LogP6.20
Rot. Bonds7

About 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159662293) has the molecular formula C28H37FN6OSi and a molecular weight of 520.73 g/mol. Its IUPAC name is 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID159662293
Molecular FormulaC28H37FN6OSi
Molecular Weight520.73 g/mol
Exact Mass520.28
IUPAC Name2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCC1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3ccc4nn(C)cc4c3F)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C28H37FN6OSi/c1-18-12-19-6-7-20(13-18)35(19)25-14-30-27-22(21-8-9-24-23(26(21)29)15-33(2)32-24)16-34(28(27)31-25)17-36-10-11-37(3,4)5/h8-9,14-16,18-20H,6-7,10-13,17H2,1-5H3/t18?,19-,20+
InChIKeyMSYURUASUVAWIS-IHWFROFDSA-N
XLogP6.20
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.73
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 159662293) is 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is CC1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3ccc4nn(C)cc4c3F)cn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MSYURUASUVAWIS-IHWFROFDSA-N. The full InChI is InChI=1S/C28H37FN6OSi/c1-18-12-19-6-7-20(13-18)35(19)25-14-30-27-22(21-8-9-24-23(26(21)29)15-33(2)32-24)16-34(28(27)31-25)17-36-10-11-37(3,4)5/h8-9,14-16,18-20H,6-7,10-13,17H2,1-5H3/t18?,19-,20+.
What are the key properties of 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 520.73 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159662293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).