LMKPWTXVXDZTLW-UHFFFAOYSA-N

C₂₄H₂₈FN₅OSi — CID 69350079

About LMKPWTXVXDZTLW-UHFFFAOYSA-N

LMKPWTXVXDZTLW-UHFFFAOYSA-N (PubChem CID 69350079) has the molecular formula C₂₄H₂₈FN₅OSi and a molecular weight of 449.61 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: LMKPWTXVXDZTLW-UHFFFAOYSA-N
• PubChem CID: 69350079
• Molecular Formula: C₂₄H₂₈FN₅OSi
• Molecular Weight: 449.61 g/mol
• Exact Mass: 449.20
• IUPAC Name: 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cn1cc(-c2cc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccccn3)ccc2F)cn1
• InChI: InChI=1S/C24H28FN5OSi/c1-29-15-19(14-27-29)20-13-18(8-9-22(20)25)21-16-30(17-31-11-12-32(2,3)4)28-24(21)23-7-5-6-10-26-23/h5-10,13-16H,11-12,17H2,1-4H3
• InChIKey: LMKPWTXVXDZTLW-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.61
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of LMKPWTXVXDZTLW-UHFFFAOYSA-N?

The IUPAC name of LMKPWTXVXDZTLW-UHFFFAOYSA-N (CID 69350079) is 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for LMKPWTXVXDZTLW-UHFFFAOYSA-N?

The canonical SMILES for LMKPWTXVXDZTLW-UHFFFAOYSA-N is Cn1cc(-c2cc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccccn3)ccc2F)cn1.

What is the InChIKey of LMKPWTXVXDZTLW-UHFFFAOYSA-N?

The InChIKey is LMKPWTXVXDZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5OSi/c1-29-15-19(14-27-29)20-13-18(8-9-22(20)25)21-16-30(17-31-11-12-32(2,3)4)28-24(21)23-7-5-6-10-26-23/h5-10,13-16H,11-12,17H2,1-4H3.

What are the key properties of LMKPWTXVXDZTLW-UHFFFAOYSA-N?

LMKPWTXVXDZTLW-UHFFFAOYSA-N has a molecular weight of 449.61 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for LMKPWTXVXDZTLW-UHFFFAOYSA-N is sourced from PubChem (CID 69350079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 69350079 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.