QWANCYQFZTZHTP-UHFFFAOYSA-N

C₁₉H₁₄FN₃O₂S — CID 58896987

About QWANCYQFZTZHTP-UHFFFAOYSA-N

QWANCYQFZTZHTP-UHFFFAOYSA-N (PubChem CID 58896987) has the molecular formula C₁₉H₁₄FN₃O₂S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: QWANCYQFZTZHTP-UHFFFAOYSA-N
• PubChem CID: 58896987
• Molecular Formula: C₁₉H₁₄FN₃O₂S
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.08
• IUPAC Name: 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
• SMILES: Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(F)n4)ccnc32)cc1
• InChI: InChI=1S/C19H14FN3O2S/c1-13-5-7-14(8-6-13)26(24,25)23-12-10-16-15(9-11-21-19(16)23)17-3-2-4-18(20)22-17/h2-12H,1H3
• InChIKey: QWANCYQFZTZHTP-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 64.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	3.78
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 QWANCYQFZTZHTP-UHFFFAOYSA-N?

The IUPAC name of QWANCYQFZTZHTP-UHFFFAOYSA-N (CID 58896987) is 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

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

The canonical SMILES for QWANCYQFZTZHTP-UHFFFAOYSA-N is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(F)n4)ccnc32)cc1.

What is the InChIKey of QWANCYQFZTZHTP-UHFFFAOYSA-N?

The InChIKey is QWANCYQFZTZHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-13-5-7-14(8-6-13)26(24,25)23-12-10-16-15(9-11-21-19(16)23)17-3-2-4-18(20)22-17/h2-12H,1H3.

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

QWANCYQFZTZHTP-UHFFFAOYSA-N has a molecular weight of 367.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for QWANCYQFZTZHTP-UHFFFAOYSA-N is sourced from PubChem (CID 58896987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58896987 — identifiers, structure, computed properties (public domain)

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