3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C26H29F5N4O5 — CID 155160622

About 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 155160622) has the molecular formula C26H29F5N4O5 and a molecular weight of 572.53 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 155160622
• Molecular Formula: C26H29F5N4O5
• Molecular Weight: 572.53 g/mol
• Exact Mass: 572.21
• IUPAC Name: 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CCC3(C2)OCC(F)(F)C3(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H29F5N4O5/c1-16-10-19(27)20(32-23(37)35-3-2-24(14-35)26(30,31)25(28,29)15-40-24)13-18(16)17-11-21(34-4-7-38-8-5-34)33-22(12-17)39-9-6-36/h10-13,36H,2-9,14-15H2,1H3,(H,32,37)
• InChIKey: LZKATTFUTLDPKP-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 96.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.53
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 155160622) is 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1cc(F)c(NC(=O)N2CCC3(C2)OCC(F)(F)C3(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.

What is the InChIKey of 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The InChIKey is LZKATTFUTLDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F5N4O5/c1-16-10-19(27)20(32-23(37)35-3-2-24(14-35)26(30,31)25(28,29)15-40-24)13-18(16)17-11-21(34-4-7-38-8-5-34)33-22(12-17)39-9-6-36/h10-13,36H,2-9,14-15H2,1H3,(H,32,37).

What are the key properties of 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 572.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 155160622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).