5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C22H13N3O4S — CID 154114414

IUPAC5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(-c4cccc(Oc5ccncc5)c4)c3o2)S1
InChIInChI=1S/C22H13N3O4S/c26-21-19(30-22(27)25-21)10-17-9-14-11-24-12-18(20(14)29-17)13-2-1-3-16(8-13)28-15-4-6-23-7-5-15/h1-12H,(H,25,26,27)
InChIKeyOYHUDALWNAUWKT-UHFFFAOYSA-N
MW415.43 g/mol
LogP5.01
Rot. Bonds4

About 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 154114414) has the molecular formula C22H13N3O4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID154114414
Molecular FormulaC22H13N3O4S
Molecular Weight415.43 g/mol
Exact Mass415.06
IUPAC Name5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(-c4cccc(Oc5ccncc5)c4)c3o2)S1
InChIInChI=1S/C22H13N3O4S/c26-21-19(30-22(27)25-21)10-17-9-14-11-24-12-18(20(14)29-17)13-2-1-3-16(8-13)28-15-4-6-23-7-5-15/h1-12H,(H,25,26,27)
InChIKeyOYHUDALWNAUWKT-UHFFFAOYSA-N
XLogP5.01
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 154114414) is 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cc3cncc(-c4cccc(Oc5ccncc5)c4)c3o2)S1.
What is the InChIKey of 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OYHUDALWNAUWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O4S/c26-21-19(30-22(27)25-21)10-17-9-14-11-24-12-18(20(14)29-17)13-2-1-3-16(8-13)28-15-4-6-23-7-5-15/h1-12H,(H,25,26,27).
What are the key properties of 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 415.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154114414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).