[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol

C30H39FN4O2Si — CID 58485867

About [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol

[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 58485867) has the molecular formula C30H39FN4O2Si and a molecular weight of 534.75 g/mol. Its IUPAC name is [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
• PubChem CID: 58485867
• Molecular Formula: C30H39FN4O2Si
• Molecular Weight: 534.75 g/mol
• Exact Mass: 534.28
• IUPAC Name: [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
• SMILES: COc1ccc(Cc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1
• InChI: InChI=1S/C30H39FN4O2Si/c1-18(2)38(19(3)4,20(5)6)35-17-26(25-13-21(7)15-33-30(25)35)28(36)24-11-10-23(34-29(24)31)14-22-9-12-27(37-8)32-16-22/h9-13,15-20,28,36H,14H2,1-8H3
• InChIKey: PHQINTJZUCSNLM-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.75
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?

The IUPAC name of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (CID 58485867) is [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.

What is the SMILES notation for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?

The canonical SMILES for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is COc1ccc(Cc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.

What is the InChIKey of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?

The InChIKey is PHQINTJZUCSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O2Si/c1-18(2)38(19(3)4,20(5)6)35-17-26(25-13-21(7)15-33-30(25)35)28(36)24-11-10-23(34-29(24)31)14-22-9-12-27(37-8)32-16-22/h9-13,15-20,28,36H,14H2,1-8H3.

What are the key properties of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?

[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 534.75 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 58485867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).