[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane

C₅₃H₆₄Cl₂N₆O₆Si — CID 157360393

About [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane

[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane (PubChem CID 157360393) has the molecular formula C₅₃H₆₄Cl₂N₆O₆Si and a molecular weight of 980.12 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane.

Molecular Properties

• Compound Name: [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane
• PubChem CID: 157360393
• Molecular Formula: C₅₃H₆₄Cl₂N₆O₆Si
• Molecular Weight: 980.12 g/mol
• Exact Mass: 978.40
• IUPAC Name: [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane
• SMILES: C.C.COc1cc(C(O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)ncc1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C30H38ClN3O3Si.C21H18ClN3O3.2CH4/c1-19(2)38(20(3)4,21(5)6)34-17-25(24-9-8-14-32-30(24)34)29(35)26-15-27(36-7)28(16-33-26)37-18-22-10-12-23(31)13-11-22;1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13;;/h8-17,19-21,29,35H,18H2,1-7H3;2-11,20,26H,12H2,1H3,(H,23,25);2*1H4
• InChIKey: BIONHBZHLZVQTL-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 149.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.12
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The IUPAC name of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane (CID 157360393) is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane.

What is the SMILES notation for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The canonical SMILES for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane is C.C.COc1cc(C(O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)ncc1OCc1ccc(Cl)cc1.

What is the InChIKey of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The InChIKey is BIONHBZHLZVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN3O3Si.C21H18ClN3O3.2CH4/c1-19(2)38(20(3)4,21(5)6)34-17-25(24-9-8-14-32-30(24)34)29(35)26-15-27(36-7)28(16-33-26)37-18-22-10-12-23(31)13-11-22;1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13;;/h8-17,19-21,29,35H,18H2,1-7H3;2-11,20,26H,12H2,1H3,(H,23,25);2*1H4.

What are the key properties of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane has a molecular weight of 980.12 g/mol, XLogP of 13.33, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane is sourced from PubChem (CID 157360393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157360393 — identifiers, structure, computed properties (public domain)

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