fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione

C22H21FFmN3O3S- — CID 58565921

IUPACfermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione
SMILESO=C1[N-]C(=O)C([C@@H]2CCc3cc(O[C@H]4CCCN(c5ccc(F)cn5)C4)ccc32)S1.[Fm]
InChIInChI=1S/C22H22FN3O3S.Fm/c23-14-4-8-19(24-11-14)26-9-1-2-16(12-26)29-15-5-7-17-13(10-15)3-6-18(17)20-21(27)25-22(28)30-20;/h4-5,7-8,10-11,16,18,20H,1-3,6,9,12H2,(H,25,27,28);/p-1/t16-,18+,20?;/m0./s1
InChIKeySTGLNXITZMLAOB-MGKDRJRYSA-M
MW683.49 g/mol
LogP4.43
Rot. Bonds4

About fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione

fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione (PubChem CID 58565921) has the molecular formula C22H21FFmN3O3S- and a molecular weight of 683.49 g/mol. Its IUPAC name is fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namefermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione
PubChem CID58565921
Molecular FormulaC22H21FFmN3O3S-
Molecular Weight683.49 g/mol
Exact Mass683.22
IUPAC Namefermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione
SMILESO=C1[N-]C(=O)C([C@@H]2CCc3cc(O[C@H]4CCCN(c5ccc(F)cn5)C4)ccc32)S1.[Fm]
InChIInChI=1S/C22H22FN3O3S.Fm/c23-14-4-8-19(24-11-14)26-9-1-2-16(12-26)29-15-5-7-17-13(10-15)3-6-18(17)20-21(27)25-22(28)30-20;/h4-5,7-8,10-11,16,18,20H,1-3,6,9,12H2,(H,25,27,28);/p-1/t16-,18+,20?;/m0./s1
InChIKeySTGLNXITZMLAOB-MGKDRJRYSA-M
XLogP4.43
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione?
The IUPAC name of fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione (CID 58565921) is fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione.
What is the SMILES notation for fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione?
The canonical SMILES for fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione is O=C1[N-]C(=O)C([C@@H]2CCc3cc(O[C@H]4CCCN(c5ccc(F)cn5)C4)ccc32)S1.[Fm].
What is the InChIKey of fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione?
The InChIKey is STGLNXITZMLAOB-MGKDRJRYSA-M. The full InChI is InChI=1S/C22H22FN3O3S.Fm/c23-14-4-8-19(24-11-14)26-9-1-2-16(12-26)29-15-5-7-17-13(10-15)3-6-18(17)20-21(27)25-22(28)30-20;/h4-5,7-8,10-11,16,18,20H,1-3,6,9,12H2,(H,25,27,28);/p-1/t16-,18+,20?;/m0./s1.
What are the key properties of fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione?
fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione has a molecular weight of 683.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;5-[(1R)-5-[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-3-ide-2,4-dione is sourced from PubChem (CID 58565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).