WQRLHRZXOVWFSG-UHFFFAOYSA-N

C₂₃H₂₅F₂N₅OSi — CID 67470449

About WQRLHRZXOVWFSG-UHFFFAOYSA-N

WQRLHRZXOVWFSG-UHFFFAOYSA-N (PubChem CID 67470449) has the molecular formula C₂₃H₂₅F₂N₅OSi and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

• Compound Name: WQRLHRZXOVWFSG-UHFFFAOYSA-N
• PubChem CID: 67470449
• Molecular Formula: C₂₃H₂₅F₂N₅OSi
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.18
• IUPAC Name: N-[2-(2,5-difluorophenyl)-4-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine
• SMILES: C[Si](C)(C)CCOCn1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21
• InChI: InChI=1S/C23H25F2N5OSi/c1-32(2,3)11-10-31-15-30-23-20(7-9-27-22(23)14-28-30)29-17-6-8-26-21(13-17)18-12-16(24)4-5-19(18)25/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27,29)
• InChIKey: WQRLHRZXOVWFSG-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
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 WQRLHRZXOVWFSG-UHFFFAOYSA-N?

The IUPAC name of WQRLHRZXOVWFSG-UHFFFAOYSA-N (CID 67470449) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine.

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

The canonical SMILES for WQRLHRZXOVWFSG-UHFFFAOYSA-N is C[Si](C)(C)CCOCn1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21.

What is the InChIKey of WQRLHRZXOVWFSG-UHFFFAOYSA-N?

The InChIKey is WQRLHRZXOVWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5OSi/c1-32(2,3)11-10-31-15-30-23-20(7-9-27-22(23)14-28-30)29-17-6-8-26-21(13-17)18-12-16(24)4-5-19(18)25/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27,29).

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

WQRLHRZXOVWFSG-UHFFFAOYSA-N has a molecular weight of 453.57 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WQRLHRZXOVWFSG-UHFFFAOYSA-N is sourced from PubChem (CID 67470449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67470449 — identifiers, structure, computed properties (public domain)

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