2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride

C100H148B3Br2Cl2N17O12Si3 — CID 159291644

About 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride

2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride (PubChem CID 159291644) has the molecular formula C100H148B3Br2Cl2N17O12Si3 and a molecular weight of 2127.80 g/mol. Its IUPAC name is 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
• PubChem CID: 159291644
• Molecular Formula: C100H148B3Br2Cl2N17O12Si3
• Molecular Weight: 2127.80 g/mol
• Exact Mass: 2123.88
• IUPAC Name: 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
• SMILES: BrC1=NCc2ccccc21.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2nn(COCC[Si](C)(C)C)c3ccccc23)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2cc(N3CCOCC3)ncn2)c2ccccc21.C[Si](C)(C)CCOCn1nc(Br)c2ccccc21.Cl.Clc1cc(N2CCOCC2)ncn1.c1ccc2c(c1)CN=C2c1cc(N2CCOCC2)ncn1
• InChI: InChI=1S/C21H29N5O2Si.C19H31BN2O3Si.C16H16N4O.C13H19BrN2OSi.C12H24B2O4.C8H6BrN.C8H10ClN3O.3CH4.ClH/c1-29(2,3)13-12-28-16-26-19-7-5-4-6-17(19)21(24-26)18-14-20(23-15-22-18)25-8-10-27-11-9-25;1-18(2)19(3,4)25-20(24-18)17-15-10-8-9-11-16(15)22(21-17)14-23-12-13-26(5,6)7;1-2-4-13-12(3-1)10-17-16(13)14-9-15(19-11-18-14)20-5-7-21-8-6-20;1-18(2,3)9-8-17-10-16-12-7-5-4-6-11(12)13(14)15-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8-7-4-2-1-3-6(7)5-10-8;9-7-5-8(11-6-10-7)12-1-3-13-4-2-12;;;;/h4-7,14-15H,8-13,16H2,1-3H3;8-11H,12-14H2,1-7H3;1-4,9,11H,5-8,10H2;4-7H,8-10H2,1-3H3;1-8H3;1-4H,5H2;5-6H,1-4H2;3*1H4;1H
• InChIKey: PBJNAIFTBOSVRX-UHFFFAOYSA-N
• XLogP: 20.95
• TPSA: 276.00 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.80
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?

The IUPAC name of 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride (CID 159291644) is 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride.

What is the SMILES notation for 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?

The canonical SMILES for 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride is BrC1=NCc2ccccc21.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2nn(COCC[Si](C)(C)C)c3ccccc23)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2cc(N3CCOCC3)ncn2)c2ccccc21.C[Si](C)(C)CCOCn1nc(Br)c2ccccc21.Cl.Clc1cc(N2CCOCC2)ncn1.c1ccc2c(c1)CN=C2c1cc(N2CCOCC2)ncn1.

What is the InChIKey of 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?

The InChIKey is PBJNAIFTBOSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2Si.C19H31BN2O3Si.C16H16N4O.C13H19BrN2OSi.C12H24B2O4.C8H6BrN.C8H10ClN3O.3CH4.ClH/c1-29(2,3)13-12-28-16-26-19-7-5-4-6-17(19)21(24-26)18-14-20(23-15-22-18)25-8-10-27-11-9-25;1-18(2)19(3,4)25-20(24-18)17-15-10-8-9-11-16(15)22(21-17)14-23-12-13-26(5,6)7;1-2-4-13-12(3-1)10-17-16(13)14-9-15(19-11-18-14)20-5-7-21-8-6-20;1-18(2,3)9-8-17-10-16-12-7-5-4-6-11(12)13(14)15-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8-7-4-2-1-3-6(7)5-10-8;9-7-5-8(11-6-10-7)12-1-3-13-4-2-12;;;;/h4-7,14-15H,8-13,16H2,1-3H3;8-11H,12-14H2,1-7H3;1-4,9,11H,5-8,10H2;4-7H,8-10H2,1-3H3;1-8H3;1-4H,5H2;5-6H,1-4H2;3*1H4;1H.

What are the key properties of 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?

2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride has a molecular weight of 2127.80 g/mol, XLogP of 20.95, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-bromo-1H-isoindole;4-(6-chloropyrimidin-4-yl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride is sourced from PubChem (CID 159291644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).