[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane

C58H72F2N4O7Si — CID 158298295

About [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane

[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane (PubChem CID 158298295) has the molecular formula C58H72F2N4O7Si and a molecular weight of 1003.32 g/mol. Its IUPAC name is [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane.

Molecular Properties

• Compound Name: [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane
• PubChem CID: 158298295
• Molecular Formula: C58H72F2N4O7Si
• Molecular Weight: 1003.32 g/mol
• Exact Mass: 1002.51
• IUPAC Name: [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane
• SMILES: C.C.C.CCOc1c(O)cccc1C(=O)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.CCOc1c(OCc2ccccc2F)cccc1C(=O)c1c[nH]c2ncccc12.OCc1ccccc1F
• InChI: InChI=1S/C25H34N2O3Si.C23H19FN2O3.C7H7FO.3CH4/c1-8-30-24-20(11-9-13-22(24)28)23(29)21-15-27(25-19(21)12-10-14-26-25)31(16(2)3,17(4)5)18(6)7;1-2-28-22-17(21(27)18-13-26-23-16(18)9-6-12-25-23)8-5-11-20(22)29-14-15-7-3-4-10-19(15)24;8-7-4-2-1-3-6(7)5-9;;;/h9-18,28H,8H2,1-7H3;3-13H,2,14H2,1H3,(H,25,26);1-4,9H,5H2;3*1H4
• InChIKey: GMEMAPXARHMEJT-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 148.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.32
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane?

The IUPAC name of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane (CID 158298295) is [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane.

What is the SMILES notation for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane?

The canonical SMILES for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane is C.C.C.CCOc1c(O)cccc1C(=O)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.CCOc1c(OCc2ccccc2F)cccc1C(=O)c1c[nH]c2ncccc12.OCc1ccccc1F.

What is the InChIKey of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane?

The InChIKey is GMEMAPXARHMEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3Si.C23H19FN2O3.C7H7FO.3CH4/c1-8-30-24-20(11-9-13-22(24)28)23(29)21-15-27(25-19(21)12-10-14-26-25)31(16(2)3,17(4)5)18(6)7;1-2-28-22-17(21(27)18-13-26-23-16(18)9-6-12-25-23)8-5-11-20(22)29-14-15-7-3-4-10-19(15)24;8-7-4-2-1-3-6(7)5-9;;;/h9-18,28H,8H2,1-7H3;3-13H,2,14H2,1H3,(H,25,26);1-4,9H,5H2;3*1H4.

What are the key properties of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane?

[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane has a molecular weight of 1003.32 g/mol, XLogP of 14.53, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane is sourced from PubChem (CID 158298295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).