NUCNNVPYIBCMGF-UHFFFAOYSA-N

C₂₂H₁₆F₂N₄O₄S — CID 74763398

About NUCNNVPYIBCMGF-UHFFFAOYSA-N

NUCNNVPYIBCMGF-UHFFFAOYSA-N (PubChem CID 74763398) has the molecular formula C₂₂H₁₆F₂N₄O₄S and a molecular weight of 470.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: NUCNNVPYIBCMGF-UHFFFAOYSA-N
• PubChem CID: 74763398
• Molecular Formula: C₂₂H₁₆F₂N₄O₄S
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.09
• IUPAC Name: 2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(C#CCO)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C22H16F2N4O4S/c1-32-22-19(27-33(30,31)20-6-5-16(23)10-18(20)24)9-15(11-26-22)14-4-7-21-25-12-17(3-2-8-29)28(21)13-14/h4-7,9-13,27,29H,8H2,1H3
• InChIKey: NUCNNVPYIBCMGF-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of NUCNNVPYIBCMGF-UHFFFAOYSA-N (CID 74763398) is 2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide.

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

The canonical SMILES for NUCNNVPYIBCMGF-UHFFFAOYSA-N is COc1ncc(-c2ccc3ncc(C#CCO)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of NUCNNVPYIBCMGF-UHFFFAOYSA-N?

The InChIKey is NUCNNVPYIBCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O4S/c1-32-22-19(27-33(30,31)20-6-5-16(23)10-18(20)24)9-15(11-26-22)14-4-7-21-25-12-17(3-2-8-29)28(21)13-14/h4-7,9-13,27,29H,8H2,1H3.

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

NUCNNVPYIBCMGF-UHFFFAOYSA-N has a molecular weight of 470.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NUCNNVPYIBCMGF-UHFFFAOYSA-N is sourced from PubChem (CID 74763398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74763398 — identifiers, structure, computed properties (public domain)

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