5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane

C52H70Br2F4N12O2Si2 — CID 161095874

IUPAC5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1[nH]nc2cc(F)c(Br)cc12.Cc1[nH]nc2cc(F)c(N3CCNCC3)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(Br)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C18H29FN4OSi.C14H20BrFN2OSi.C12H15FN4.C8H6BrFN2/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4;1-10-11-7-12(15)13(16)8-14(11)18(17-10)9-19-5-6-20(2,3)4;1-8-9-6-12(17-4-2-14-3-5-17)10(13)7-11(9)16-15-8;1-4-5-2-6(9)7(10)3-8(5)12-11-4/h11-12,20H,5-10,13H2,1-4H3;7-8H,5-6,9H2,1-4H3;6-7,14H,2-5H2,1H3,(H,15,16);2-3H,1H3,(H,11,12)
InChIKeyUHUAXHLJTOCAOV-UHFFFAOYSA-N
MW1187.19 g/mol
LogP11.96
Rot. Bonds12

About 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane

5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 161095874) has the molecular formula C52H70Br2F4N12O2Si2 and a molecular weight of 1187.19 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID161095874
Molecular FormulaC52H70Br2F4N12O2Si2
Molecular Weight1187.19 g/mol
Exact Mass1184.36
IUPAC Name5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1[nH]nc2cc(F)c(Br)cc12.Cc1[nH]nc2cc(F)c(N3CCNCC3)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(Br)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C18H29FN4OSi.C14H20BrFN2OSi.C12H15FN4.C8H6BrFN2/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4;1-10-11-7-12(15)13(16)8-14(11)18(17-10)9-19-5-6-20(2,3)4;1-8-9-6-12(17-4-2-14-3-5-17)10(13)7-11(9)16-15-8;1-4-5-2-6(9)7(10)3-8(5)12-11-4/h11-12,20H,5-10,13H2,1-4H3;7-8H,5-6,9H2,1-4H3;6-7,14H,2-5H2,1H3,(H,15,16);2-3H,1H3,(H,11,12)
InChIKeyUHUAXHLJTOCAOV-UHFFFAOYSA-N
XLogP11.96
TPSA142.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms74
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.19
LogP ≤ 511.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 161095874) is 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1[nH]nc2cc(F)c(Br)cc12.Cc1[nH]nc2cc(F)c(N3CCNCC3)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(Br)cc12.Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(N3CCNCC3)cc12.
What is the InChIKey of 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is UHUAXHLJTOCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4OSi.C14H20BrFN2OSi.C12H15FN4.C8H6BrFN2/c1-14-15-11-18(22-7-5-20-6-8-22)16(19)12-17(15)23(21-14)13-24-9-10-25(2,3)4;1-10-11-7-12(15)13(16)8-14(11)18(17-10)9-19-5-6-20(2,3)4;1-8-9-6-12(17-4-2-14-3-5-17)10(13)7-11(9)16-15-8;1-4-5-2-6(9)7(10)3-8(5)12-11-4/h11-12,20H,5-10,13H2,1-4H3;7-8H,5-6,9H2,1-4H3;6-7,14H,2-5H2,1H3,(H,15,16);2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane?
5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 1187.19 g/mol, XLogP of 11.96, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161095874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).