1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C₂₅H₂₆FN₅O₅ — CID 146633610

About 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 146633610) has the molecular formula C₂₅H₂₆FN₅O₅ and a molecular weight of 495.51 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 146633610
• Molecular Formula: C₂₅H₂₆FN₅O₅
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.19
• IUPAC Name: 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@@H]2c2ccc(F)nc2)C1=O
• InChI: InChI=1S/C25H26FN5O5/c1-14-3-7-19(16-4-8-20(26)28-12-16)31(14)21(32)13-30-22(33)25(36-24(30)35)10-9-15-11-17(5-6-18(15)25)29-23(34)27-2/h4-6,8,11-12,14,19H,3,7,9-10,13H2,1-2H3,(H2,27,29,34)/t14-,19-,25-/m1/s1
• InChIKey: LTYUNPSXFYVRET-LNMSCABWSA-N
• XLogP: 2.84
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The IUPAC name of 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 146633610) is 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

What is the SMILES notation for 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The canonical SMILES for 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@@H]2c2ccc(F)nc2)C1=O.

What is the InChIKey of 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The InChIKey is LTYUNPSXFYVRET-LNMSCABWSA-N. The full InChI is InChI=1S/C25H26FN5O5/c1-14-3-7-19(16-4-8-20(26)28-12-16)31(14)21(32)13-30-22(33)25(36-24(30)35)10-9-15-11-17(5-6-18(15)25)29-23(34)27-2/h4-6,8,11-12,14,19H,3,7,9-10,13H2,1-2H3,(H2,27,29,34)/t14-,19-,25-/m1/s1.

What are the key properties of 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 495.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-3-[2-[(2R,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 146633610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146633610 — identifiers, structure, computed properties (public domain)

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