LEOOWSOXHKXZEP-UHFFFAOYSA-N

C₂₅H₂₇F₄N₇O₂Si — CID 140891214

About LEOOWSOXHKXZEP-UHFFFAOYSA-N

LEOOWSOXHKXZEP-UHFFFAOYSA-N (PubChem CID 140891214) has the molecular formula C₂₅H₂₇F₄N₇O₂Si and a molecular weight of 561.62 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: LEOOWSOXHKXZEP-UHFFFAOYSA-N
• PubChem CID: 140891214
• Molecular Formula: C₂₅H₂₇F₄N₇O₂Si
• Molecular Weight: 561.62 g/mol
• Exact Mass: 561.19
• IUPAC Name: N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3c2ccn3COCC[Si](C)(C)C)c1F
• InChI: InChI=1S/C25H27F4N7O2Si/c1-15(37)31-23-20(26)17(8-10-30-23)33-21-16-9-11-36(14-38-12-13-39(2,3)4)24(16)35-22(34-21)18-6-5-7-19(32-18)25(27,28)29/h5-11H,12-14H2,1-4H3,(H2,30,31,33,34,35,37)
• InChIKey: LEOOWSOXHKXZEP-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.62
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 LEOOWSOXHKXZEP-UHFFFAOYSA-N?

The IUPAC name of LEOOWSOXHKXZEP-UHFFFAOYSA-N (CID 140891214) is N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

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

The canonical SMILES for LEOOWSOXHKXZEP-UHFFFAOYSA-N is CC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3c2ccn3COCC[Si](C)(C)C)c1F.

What is the InChIKey of LEOOWSOXHKXZEP-UHFFFAOYSA-N?

The InChIKey is LEOOWSOXHKXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N7O2Si/c1-15(37)31-23-20(26)17(8-10-30-23)33-21-16-9-11-36(14-38-12-13-39(2,3)4)24(16)35-22(34-21)18-6-5-7-19(32-18)25(27,28)29/h5-11H,12-14H2,1-4H3,(H2,30,31,33,34,35,37).

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

LEOOWSOXHKXZEP-UHFFFAOYSA-N has a molecular weight of 561.62 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for LEOOWSOXHKXZEP-UHFFFAOYSA-N is sourced from PubChem (CID 140891214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140891214 — identifiers, structure, computed properties (public domain)

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