2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine

C44H59Br2FN8O4Si2 — CID 161455888

IUPAC2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine
SMILESC1COCCN1.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C22H29BrN4O2Si.C18H21BrFN3OSi.C4H9NO/c1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;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;1-3-6-4-2-5-1/h4-7,14-15H,8-13,16H2,1-3H3;4-7,10-11H,8-9,12H2,1-3H3;5H,1-4H2
InChIKeyWBDIOVHDSUKVTA-UHFFFAOYSA-N
MW998.99 g/mol
LogP9.93
Rot. Bonds13

About 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine

2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine (PubChem CID 161455888) has the molecular formula C44H59Br2FN8O4Si2 and a molecular weight of 998.99 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine
PubChem CID161455888
Molecular FormulaC44H59Br2FN8O4Si2
Molecular Weight998.99 g/mol
Exact Mass996.25
IUPAC Name2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine
SMILESC1COCCN1.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C22H29BrN4O2Si.C18H21BrFN3OSi.C4H9NO/c1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;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;1-3-6-4-2-5-1/h4-7,14-15H,8-13,16H2,1-3H3;4-7,10-11H,8-9,12H2,1-3H3;5H,1-4H2
InChIKeyWBDIOVHDSUKVTA-UHFFFAOYSA-N
XLogP9.93
TPSA113.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500998.99
LogP ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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'}

Analyze 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine with MolForge

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Related Compounds

6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[4-(methoxymethyl)oxan-4-yl]amino]methyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68074450
4-[4-(5-Bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 90400757
4-[4-(5-Bromo-7-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 118077559
4-[4-(5-Bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
CID 118651848
5-Bromo-3-[2-(4-morpholinyl)-4-pyridinyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole
CID 90391107
2-[[5-Bromo-3-(2-piperidin-1-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90399856
2-[[4-[5-Bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]amino]ethanol
CID 123891448
4-[4-[5-Bromo-1-(propoxymethyl)indazol-3-yl]-2-pyridinyl]morpholine
CID 132194009
5-Bromo-7-fluoro-3-iodo-1-tritylindazole;4-[4-(5-bromo-7-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 157766272
2-[[5-Bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 157810054
4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
CID 158282246
2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride
CID 158427480

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine?
The IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine (CID 161455888) is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine.
What is the SMILES notation for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine?
The canonical SMILES for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine is C1COCCN1.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.
What is the InChIKey of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine?
The InChIKey is WBDIOVHDSUKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN4O2Si.C18H21BrFN3OSi.C4H9NO/c1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;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;1-3-6-4-2-5-1/h4-7,14-15H,8-13,16H2,1-3H3;4-7,10-11H,8-9,12H2,1-3H3;5H,1-4H2.
What are the key properties of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine?
2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine has a molecular weight of 998.99 g/mol, XLogP of 9.93, 13 rotatable bonds, 1 hydrogen bond donors, and 12 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;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;morpholine is sourced from PubChem (CID 161455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).