acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C81H132B3BrCl2CuN12O13S2Si3 — CID 157421637

About acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 157421637) has the molecular formula C81H132B3BrCl2CuN12O13S2Si3 and a molecular weight of 1877.20 g/mol. Its IUPAC name is acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 157421637
• Molecular Formula: C81H132B3BrCl2CuN12O13S2Si3
• Molecular Weight: 1877.20 g/mol
• Exact Mass: 1873.69
• IUPAC Name: acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CC(=O)O.CC(=O)O.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCS.CCCSc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1.[Cu]
• InChI: InChI=1S/C23H35BN4O3Si.C20H30N4OSSi.C17H23BrN4OSi.C12H24B2O4.C3H8S.C2H4Cl2.2C2H4O2.Cu/c1-22(2)23(3,4)31-24(30-22)18-11-19-20(17-12-26-27(5)14-17)15-28(21(19)25-13-18)16-29-9-10-32(6,7)8;1-6-8-26-17-10-18-19(16-11-22-23(2)13-16)14-24(20(18)21-12-17)15-25-7-9-27(3,4)5;1-21-10-13(8-20-21)16-11-22(12-23-5-6-24(2,3)4)17-15(16)7-14(18)9-19-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-3-4;3*1-2(3)4;/h11-15H,9-10,16H2,1-8H3;10-14H,6-9,15H2,1-5H3;7-11H,5-6,12H2,1-4H3;1-8H3;4H,2-3H2,1H3;2H,1H3;2*1H3,(H,3,4)
• InChIKey: MMGHYYFTHFBWQP-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 264.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.20
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 157421637) is acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC(=O)O.CC(=O)O.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCS.CCCSc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1.[Cu].

What is the InChIKey of acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is MMGHYYFTHFBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35BN4O3Si.C20H30N4OSSi.C17H23BrN4OSi.C12H24B2O4.C3H8S.C2H4Cl2.2C2H4O2.Cu/c1-22(2)23(3,4)31-24(30-22)18-11-19-20(17-12-26-27(5)14-17)15-28(21(19)25-13-18)16-29-9-10-32(6,7)8;1-6-8-26-17-10-18-19(16-11-22-23(2)13-16)14-24(20(18)21-12-17)15-25-7-9-27(3,4)5;1-21-10-13(8-20-21)16-11-22(12-23-5-6-24(2,3)4)17-15(16)7-14(18)9-19-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-3-4;3*1-2(3)4;/h11-15H,9-10,16H2,1-8H3;10-14H,6-9,15H2,1-5H3;7-11H,5-6,12H2,1-4H3;1-8H3;4H,2-3H2,1H3;2H,1H3;2*1H3,(H,3,4);.

What are the key properties of acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1877.20 g/mol, XLogP of 19.38, 24 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;copper;1,1-dichloroethane;propane-1-thiol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157421637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).