DHUVGSWLTLIIPF-UHFFFAOYSA-N

C₂₆H₂₂F₆N₈O₂ — CID 118567026

About DHUVGSWLTLIIPF-UHFFFAOYSA-N

DHUVGSWLTLIIPF-UHFFFAOYSA-N (PubChem CID 118567026) has the molecular formula C₂₆H₂₂F₆N₈O₂ and a molecular weight of 592.50 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: DHUVGSWLTLIIPF-UHFFFAOYSA-N
• PubChem CID: 118567026
• Molecular Formula: C₂₆H₂₂F₆N₈O₂
• Molecular Weight: 592.50 g/mol
• Exact Mass: 592.18
• IUPAC Name: 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N3CCOCC3)c21
• InChI: InChI=1S/C26H22F6N8O2/c1-24(17-3-2-14(27)12-34-17)18-20(38-23(24)41)36-19(37-22(18)39-8-10-42-11-9-39)16-13-40-7-6-33-21(40)15(35-16)4-5-25(28,29)26(30,31)32/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,36,37,38,41)
• InChIKey: DHUVGSWLTLIIPF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.50
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of DHUVGSWLTLIIPF-UHFFFAOYSA-N (CID 118567026) is 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for DHUVGSWLTLIIPF-UHFFFAOYSA-N is CC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N3CCOCC3)c21.

What is the InChIKey of DHUVGSWLTLIIPF-UHFFFAOYSA-N?

The InChIKey is DHUVGSWLTLIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N8O2/c1-24(17-3-2-14(27)12-34-17)18-20(38-23(24)41)36-19(37-22(18)39-8-10-42-11-9-39)16-13-40-7-6-33-21(40)15(35-16)4-5-25(28,29)26(30,31)32/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,36,37,38,41).

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

DHUVGSWLTLIIPF-UHFFFAOYSA-N has a molecular weight of 592.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for DHUVGSWLTLIIPF-UHFFFAOYSA-N is sourced from PubChem (CID 118567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118567026 — identifiers, structure, computed properties (public domain)

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