WCZNFQUFYVEIJE-UHFFFAOYSA-N

C₁₇H₁₀F₄N₄S — CID 155399972

About WCZNFQUFYVEIJE-UHFFFAOYSA-N

WCZNFQUFYVEIJE-UHFFFAOYSA-N (PubChem CID 155399972) has the molecular formula C₁₇H₁₀F₄N₄S and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: WCZNFQUFYVEIJE-UHFFFAOYSA-N
• PubChem CID: 155399972
• Molecular Formula: C₁₇H₁₀F₄N₄S
• Molecular Weight: 378.35 g/mol
• Exact Mass: 378.06
• IUPAC Name: 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine
• SMILES: Fc1ccc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1
• InChI: InChI=1S/C17H10F4N4S/c18-16-4-1-10(6-23-16)9-25-13-5-11(7-22-12(13)8-24-25)14-2-3-15(26-14)17(19,20)21/h1-8H,9H2
• InChIKey: WCZNFQUFYVEIJE-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.35
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of WCZNFQUFYVEIJE-UHFFFAOYSA-N (CID 155399972) is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine.

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

The canonical SMILES for WCZNFQUFYVEIJE-UHFFFAOYSA-N is Fc1ccc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1.

What is the InChIKey of WCZNFQUFYVEIJE-UHFFFAOYSA-N?

The InChIKey is WCZNFQUFYVEIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4S/c18-16-4-1-10(6-23-16)9-25-13-5-11(7-22-12(13)8-24-25)14-2-3-15(26-14)17(19,20)21/h1-8H,9H2.

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

WCZNFQUFYVEIJE-UHFFFAOYSA-N has a molecular weight of 378.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WCZNFQUFYVEIJE-UHFFFAOYSA-N is sourced from PubChem (CID 155399972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155399972 — identifiers, structure, computed properties (public domain)

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