2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

C54H77Br2FN10O6Si2 — CID 159633271

About 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (PubChem CID 159633271) has the molecular formula C54H77Br2FN10O6Si2 and a molecular weight of 1197.25 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
• PubChem CID: 159633271
• Molecular Formula: C54H77Br2FN10O6Si2
• Molecular Weight: 1197.25 g/mol
• Exact Mass: 1194.39
• IUPAC Name: 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn(COCC[Si](C)(C)C)c4ccc(Br)cc34)ccn2)CC1.CC(C)(C)OC(=O)N1CCNCC1.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21
• InChI: InChI=1S/C27H38BrN5O3Si.C18H21BrFN3OSi.C9H18N2O2/c1-27(2,3)36-26(34)32-13-11-31(12-14-32)24-17-20(9-10-29-24)25-22-18-21(28)7-8-23(22)33(30-25)19-35-15-16-37(4,5)6;1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h7-10,17-18H,11-16,19H2,1-6H3;4-7,10-11H,8-9,12H2,1-3H3;10H,4-7H2,1-3H3
• InChIKey: MPKGVBNWJNNOLP-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 154.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.25
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?

The IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (CID 159633271) is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.

What is the SMILES notation for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?

The canonical SMILES for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn(COCC[Si](C)(C)C)c4ccc(Br)cc34)ccn2)CC1.CC(C)(C)OC(=O)N1CCNCC1.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.

What is the InChIKey of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?

The InChIKey is MPKGVBNWJNNOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38BrN5O3Si.C18H21BrFN3OSi.C9H18N2O2/c1-27(2,3)36-26(34)32-13-11-31(12-14-32)24-17-20(9-10-29-24)25-22-18-21(28)7-8-23(22)33(30-25)19-35-15-16-37(4,5)6;1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h7-10,17-18H,11-16,19H2,1-6H3;4-7,10-11H,8-9,12H2,1-3H3;10H,4-7H2,1-3H3.

What are the key properties of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?

2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate has a molecular weight of 1197.25 g/mol, XLogP of 12.37, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is sourced from PubChem (CID 159633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).