2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C33H43F2N5O3Si — CID 159587541

About 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159587541) has the molecular formula C33H43F2N5O3Si and a molecular weight of 623.82 g/mol. Its IUPAC name is 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159587541
• Molecular Formula: C33H43F2N5O3Si
• Molecular Weight: 623.82 g/mol
• Exact Mass: 623.31
• IUPAC Name: 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCN1CCC(c2cncc(-c3cnc4c(c3)c(Cc3c(F)c(OC)cc(OC)c3F)cn4COCC[Si](C)(C)C)n2)CC1
• InChI: InChI=1S/C33H43F2N5O3Si/c1-7-39-10-8-22(9-11-39)27-18-36-19-28(38-27)23-14-25-24(15-26-31(34)29(41-2)16-30(42-3)32(26)35)20-40(33(25)37-17-23)21-43-12-13-44(4,5)6/h14,16-20,22H,7-13,15,21H2,1-6H3
• InChIKey: ZVMMUJXSLWFJOZ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 74.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.82
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 159587541) is 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CCN1CCC(c2cncc(-c3cnc4c(c3)c(Cc3c(F)c(OC)cc(OC)c3F)cn4COCC[Si](C)(C)C)n2)CC1.

What is the InChIKey of 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ZVMMUJXSLWFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F2N5O3Si/c1-7-39-10-8-22(9-11-39)27-18-36-19-28(38-27)23-14-25-24(15-26-31(34)29(41-2)16-30(42-3)32(26)35)20-40(33(25)37-17-23)21-43-12-13-44(4,5)6/h14,16-20,22H,7-13,15,21H2,1-6H3.

What are the key properties of 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 623.82 g/mol, XLogP of 6.89, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159587541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).