[2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol

C31H39FN2O3Si — CID 141263524

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

[2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 141263524) has the molecular formula C31H39FN2O3Si and a molecular weight of 534.75 g/mol. Its IUPAC name is [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
• PubChem CID: 141263524
• Molecular Formula: C31H39FN2O3Si
• Molecular Weight: 534.75 g/mol
• Exact Mass: 534.27
• IUPAC Name: [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
• SMILES: COc1cc(-c2c(CO)c3cccnc3n2[Si](C(C)C)(C(C)C)C(C)C)c(F)cc1OCc1ccccc1
• InChI: InChI=1S/C31H39FN2O3Si/c1-20(2)38(21(3)4,22(5)6)34-30(26(18-35)24-14-11-15-33-31(24)34)25-16-28(36-7)29(17-27(25)32)37-19-23-12-9-8-10-13-23/h8-17,20-22,35H,18-19H2,1-7H3
• InChIKey: MJANNVHQHCIKLD-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.75
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (CID 141263524) is [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.

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

The canonical SMILES for [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is COc1cc(-c2c(CO)c3cccnc3n2[Si](C(C)C)(C(C)C)C(C)C)c(F)cc1OCc1ccccc1.

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

The InChIKey is MJANNVHQHCIKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN2O3Si/c1-20(2)38(21(3)4,22(5)6)34-30(26(18-35)24-14-11-15-33-31(24)34)25-16-28(36-7)29(17-27(25)32)37-19-23-12-9-8-10-13-23/h8-17,20-22,35H,18-19H2,1-7H3.

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

[2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 534.75 g/mol, XLogP of 7.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 141263524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).