[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C31H39FN2O2Si — CID 58086418

About [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 58086418) has the molecular formula C31H39FN2O2Si and a molecular weight of 518.75 g/mol. Its IUPAC name is [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• PubChem CID: 58086418
• Molecular Formula: C31H39FN2O2Si
• Molecular Weight: 518.75 g/mol
• Exact Mass: 518.28
• IUPAC Name: [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• SMILES: COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1
• InChI: InChI=1S/C31H39FN2O2Si/c1-21(2)37(22(3)4,23(5)6)34-19-26(27-14-11-15-33-31(27)34)16-25-17-29(35-7)30(18-28(25)32)36-20-24-12-9-8-10-13-24/h8-15,17-19,21-23H,16,20H2,1-7H3
• InChIKey: WMTCSLXBXSSXGN-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.75
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The IUPAC name of [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 58086418) is [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The canonical SMILES for [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1.

What is the InChIKey of [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The InChIKey is WMTCSLXBXSSXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN2O2Si/c1-21(2)37(22(3)4,23(5)6)34-19-26(27-14-11-15-33-31(27)34)16-25-17-29(35-7)30(18-28(25)32)36-20-24-12-9-8-10-13-24/h8-15,17-19,21-23H,16,20H2,1-7H3.

What are the key properties of [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 518.75 g/mol, XLogP of 8.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 58086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).