2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C23H31BrN4OSi — CID 90399856

IUPAC2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCCCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C23H31BrN4OSi/c1-30(2,3)14-13-29-17-28-21-8-7-19(24)16-20(21)23(26-28)18-9-10-25-22(15-18)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14,17H2,1-3H3
InChIKeyNWZKKNQEZCGLCI-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.16
Rot. Bonds7

About 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90399856) has the molecular formula C23H31BrN4OSi and a molecular weight of 487.52 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90399856
Molecular FormulaC23H31BrN4OSi
Molecular Weight487.52 g/mol
Exact Mass486.15
IUPAC Name2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCCCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C23H31BrN4OSi/c1-30(2,3)14-13-29-17-28-21-8-7-19(24)16-20(21)23(26-28)18-9-10-25-22(15-18)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14,17H2,1-3H3
InChIKeyNWZKKNQEZCGLCI-UHFFFAOYSA-N
XLogP6.16
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

{5-[3-(3-Bromo-phenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylethynyl]-pyridin-2-yl}-dimethyl-amine
CID 10342811
3-(3-Bromo-phenyl)-1-methyl-4-(6-morpholin-4-yl-pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 44393176
US10954240, Example 2
CID 118930305
3-[[5-Bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol
CID 10160497
4-{1-[1-(3-bromophenyl)-4,4-difluorobut-3-en-1-yl]-1H-pyrazol-4-yl}-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine
CID 57478004
5-bromo-1-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)-6-fluoro-1H-indazole
CID 68279356
5-Bromo-3-(2-fluoro-4-pyridinyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole
CID 90391170
Tert-butyl 5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate
CID 90400577
4-[4-(5-Bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 90400757
5-Bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1-tritylindazole
CID 90400820
2-[[5-Bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90401042
4-[4-(5-Bromo-7-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 118077559

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90399856) is 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCCCC3)c2)c2cc(Br)ccc21.
What is the InChIKey of 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NWZKKNQEZCGLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BrN4OSi/c1-30(2,3)14-13-29-17-28-21-8-7-19(24)16-20(21)23(26-28)18-9-10-25-22(15-18)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14,17H2,1-3H3.
What are the key properties of 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 487.52 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90399856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).