4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C76H98BBrN20O7Si2 — CID 159391801

About 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 159391801) has the molecular formula C76H98BBrN20O7Si2 and a molecular weight of 1550.64 g/mol. Its IUPAC name is 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 159391801
• Molecular Formula: C76H98BBrN20O7Si2
• Molecular Weight: 1550.64 g/mol
• Exact Mass: 1548.67
• IUPAC Name: 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
• SMILES: CC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1.Cn1cc(Br)nn1
• InChI: InChI=1S/C28H41BN4O4Si.C25H33N7O2Si.C20H20N6O.C3H4BrN3/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31;1-25-13-18(23-24-25)14-2-3-16-12-22-20(17(16)10-14)15-4-5-21-19(11-15)26-6-8-27-9-7-26;1-7-2-3(4)5-6-7/h8-11,18-19H,12-17,20H2,1-7H3;5-8,15-17H,9-14,18H2,1-4H3;2-5,10-11,13H,6-9,12H2,1H3;2H,1H3
• InChIKey: LMFBTFBNKONXFM-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 253.13 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.64
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 159391801) is 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1.Cn1cc(Br)nn1.

What is the InChIKey of 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The InChIKey is LMFBTFBNKONXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41BN4O4Si.C25H33N7O2Si.C20H20N6O.C3H4BrN3/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31;1-25-13-18(23-24-25)14-2-3-16-12-22-20(17(16)10-14)15-4-5-21-19(11-15)26-6-8-27-9-7-26;1-7-2-3(4)5-6-7/h8-11,18-19H,12-17,20H2,1-7H3;5-8,15-17H,9-14,18H2,1-4H3;2-5,10-11,13H,6-9,12H2,1H3;2H,1H3.

What are the key properties of 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1550.64 g/mol, XLogP of 11.23, 19 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-methyltriazole;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159391801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).