propane-1-thiol;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

C46H73BN8O4S2Si2 — CID 91041978

About propane-1-thiol;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

propane-1-thiol;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 91041978) has the molecular formula C46H73BN8O4S2Si2 and a molecular weight of 933.26 g/mol. Its IUPAC name is propane-1-thiol;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: propane-1-thiol;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: 91041978
• Molecular Formula: C46H73BN8O4S2Si2
• Molecular Weight: 933.26 g/mol
• Exact Mass: 932.48
• IUPAC Name: propane-1-thiol;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: 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
• InChI: InChI=1S/C23H35BN4O3Si.C20H30N4OSSi.C3H8S/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;1-2-3-4/h11-15H,9-10,16H2,1-8H3;10-14H,6-9,15H2,1-5H3;4H,2-3H2,1H3
• InChIKey: OJELSKYDKVDLRV-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 108.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	933.26
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 propane-1-thiol;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 propane-1-thiol;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 91041978) is propane-1-thiol;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 propane-1-thiol;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 propane-1-thiol;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 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.

What is the InChIKey of propane-1-thiol;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 OJELSKYDKVDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35BN4O3Si.C20H30N4OSSi.C3H8S/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;1-2-3-4/h11-15H,9-10,16H2,1-8H3;10-14H,6-9,15H2,1-5H3;4H,2-3H2,1H3.

What are the key properties of propane-1-thiol;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?

propane-1-thiol;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 933.26 g/mol, XLogP of 10.63, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for propane-1-thiol;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 91041978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).