QNFACERLPNPTDP-UHFFFAOYSA-N

C₂₈H₃₅F₄N₃O₂Si — CID 151614521

About QNFACERLPNPTDP-UHFFFAOYSA-N

QNFACERLPNPTDP-UHFFFAOYSA-N (PubChem CID 151614521) has the molecular formula C₂₈H₃₅F₄N₃O₂Si and a molecular weight of 549.69 g/mol. Its IUPAC name is N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide.

Molecular Properties

• Compound Name: QNFACERLPNPTDP-UHFFFAOYSA-N
• PubChem CID: 151614521
• Molecular Formula: C₂₈H₃₅F₄N₃O₂Si
• Molecular Weight: 549.69 g/mol
• Exact Mass: 549.24
• IUPAC Name: N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
• SMILES: C[Si](C)(C)CCOCn1ncc2cc(F)c(N(Cc3ccc(C4CCCCC4)cc3)C(=O)C(F)(F)F)cc21
• InChI: InChI=1S/C28H35F4N3O2Si/c1-38(2,3)14-13-37-19-35-25-16-26(24(29)15-23(25)17-33-35)34(27(36)28(30,31)32)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-12,15-17,21H,4-8,13-14,18-19H2,1-3H3
• InChIKey: QNFACERLPNPTDP-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.69
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 QNFACERLPNPTDP-UHFFFAOYSA-N?

The IUPAC name of QNFACERLPNPTDP-UHFFFAOYSA-N (CID 151614521) is N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide.

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

The canonical SMILES for QNFACERLPNPTDP-UHFFFAOYSA-N is C[Si](C)(C)CCOCn1ncc2cc(F)c(N(Cc3ccc(C4CCCCC4)cc3)C(=O)C(F)(F)F)cc21.

What is the InChIKey of QNFACERLPNPTDP-UHFFFAOYSA-N?

The InChIKey is QNFACERLPNPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F4N3O2Si/c1-38(2,3)14-13-37-19-35-25-16-26(24(29)15-23(25)17-33-35)34(27(36)28(30,31)32)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-12,15-17,21H,4-8,13-14,18-19H2,1-3H3.

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

QNFACERLPNPTDP-UHFFFAOYSA-N has a molecular weight of 549.69 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for QNFACERLPNPTDP-UHFFFAOYSA-N is sourced from PubChem (CID 151614521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151614521 — identifiers, structure, computed properties (public domain)

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