5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one

C23H24FN3O2S — CID 58565929

IUPAC5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=C1NC(=O)SC1[C@@H]1CCc2cc(O[C@@H]3CCCN(c4ccc(F)cn4)C3)ccc21
InChIInChI=1S/C23H24FN3O2S/c1-14-22(30-23(28)26-14)20-7-4-15-11-17(6-8-19(15)20)29-18-3-2-10-27(13-18)21-9-5-16(24)12-25-21/h5-6,8-9,11-12,18,20,22H,1-4,7,10,13H2,(H,26,28)/t18-,20-,22?/m1/s1
InChIKeyASPKEFXWKOYVFP-CJHNXZANSA-N
MW425.53 g/mol
LogP4.64
Rot. Bonds4

About 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one

5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one (PubChem CID 58565929) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one
PubChem CID58565929
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=C1NC(=O)SC1[C@@H]1CCc2cc(O[C@@H]3CCCN(c4ccc(F)cn4)C3)ccc21
InChIInChI=1S/C23H24FN3O2S/c1-14-22(30-23(28)26-14)20-7-4-15-11-17(6-8-19(15)20)29-18-3-2-10-27(13-18)21-9-5-16(24)12-25-21/h5-6,8-9,11-12,18,20,22H,1-4,7,10,13H2,(H,26,28)/t18-,20-,22?/m1/s1
InChIKeyASPKEFXWKOYVFP-CJHNXZANSA-N
XLogP4.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one (CID 58565929) is 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one is C=C1NC(=O)SC1[C@@H]1CCc2cc(O[C@@H]3CCCN(c4ccc(F)cn4)C3)ccc21.
What is the InChIKey of 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one?
The InChIKey is ASPKEFXWKOYVFP-CJHNXZANSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-14-22(30-23(28)26-14)20-7-4-15-11-17(6-8-19(15)20)29-18-3-2-10-27(13-18)21-9-5-16(24)12-25-21/h5-6,8-9,11-12,18,20,22H,1-4,7,10,13H2,(H,26,28)/t18-,20-,22?/m1/s1.
What are the key properties of 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one?
5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 58565929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).