(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C23H15FN4O2S — CID 155550722

IUPAC(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-n3ccc4c(Nc5ccc(F)cc5)ccnc43)cc2)S1
InChIInChI=1S/C23H15FN4O2S/c24-15-3-5-16(6-4-15)26-19-9-11-25-21-18(19)10-12-28(21)17-7-1-14(2-8-17)13-20-22(29)27-23(30)31-20/h1-13H,(H,25,26)(H,27,29,30)/b20-13+
InChIKeyHIBYDAIXVMHDLP-DEDYPNTBSA-N
MW430.46 g/mol
LogP5.23
Rot. Bonds4

About (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 155550722) has the molecular formula C23H15FN4O2S and a molecular weight of 430.46 g/mol. Its IUPAC name is (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID155550722
Molecular FormulaC23H15FN4O2S
Molecular Weight430.46 g/mol
Exact Mass430.09
IUPAC Name(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-n3ccc4c(Nc5ccc(F)cc5)ccnc43)cc2)S1
InChIInChI=1S/C23H15FN4O2S/c24-15-3-5-16(6-4-15)26-19-9-11-25-21-18(19)10-12-28(21)17-7-1-14(2-8-17)13-20-22(29)27-23(30)31-20/h1-13H,(H,25,26)(H,27,29,30)/b20-13+
InChIKeyHIBYDAIXVMHDLP-DEDYPNTBSA-N
XLogP5.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-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 (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 155550722) is (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(-n3ccc4c(Nc5ccc(F)cc5)ccnc43)cc2)S1.
What is the InChIKey of (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HIBYDAIXVMHDLP-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H15FN4O2S/c24-15-3-5-16(6-4-15)26-19-9-11-25-21-18(19)10-12-28(21)17-7-1-14(2-8-17)13-20-22(29)27-23(30)31-20/h1-13H,(H,25,26)(H,27,29,30)/b20-13+.
What are the key properties of (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 430.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[4-(4-fluoroanilino)pyrrolo[2,3-b]pyridin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155550722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).