AZFMIDGRKPUGDL-UHFFFAOYSA-N

C₂₅H₂₇F₂N₅O₂Si — CID 66599747

About AZFMIDGRKPUGDL-UHFFFAOYSA-N

AZFMIDGRKPUGDL-UHFFFAOYSA-N (PubChem CID 66599747) has the molecular formula C₂₅H₂₇F₂N₅O₂Si and a molecular weight of 495.61 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

Molecular Properties

• Compound Name: AZFMIDGRKPUGDL-UHFFFAOYSA-N
• PubChem CID: 66599747
• Molecular Formula: C₂₅H₂₇F₂N₅O₂Si
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.19
• IUPAC Name: [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
• SMILES: Cn1cc(-c2cnc(C(=O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C25H27F2N5O2Si/c1-31-15-18(13-30-31)22-14-29-25(32(22)16-34-10-11-35(2,3)4)24(33)17-8-9-28-21(12-17)23-19(26)6-5-7-20(23)27/h5-9,12-15H,10-11,16H2,1-4H3
• InChIKey: AZFMIDGRKPUGDL-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 74.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 AZFMIDGRKPUGDL-UHFFFAOYSA-N?

The IUPAC name of AZFMIDGRKPUGDL-UHFFFAOYSA-N (CID 66599747) is [2-(2,6-difluorophenyl)-4-pyridinyl]-[5-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

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

The canonical SMILES for AZFMIDGRKPUGDL-UHFFFAOYSA-N is Cn1cc(-c2cnc(C(=O)c3ccnc(-c4c(F)cccc4F)c3)n2COCC[Si](C)(C)C)cn1.

What is the InChIKey of AZFMIDGRKPUGDL-UHFFFAOYSA-N?

The InChIKey is AZFMIDGRKPUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2Si/c1-31-15-18(13-30-31)22-14-29-25(32(22)16-34-10-11-35(2,3)4)24(33)17-8-9-28-21(12-17)23-19(26)6-5-7-20(23)27/h5-9,12-15H,10-11,16H2,1-4H3.

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

AZFMIDGRKPUGDL-UHFFFAOYSA-N has a molecular weight of 495.61 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for AZFMIDGRKPUGDL-UHFFFAOYSA-N is sourced from PubChem (CID 66599747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66599747 — identifiers, structure, computed properties (public domain)

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