(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

C23H24N6O2S — CID 89494021

IUPAC(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN1CCN(c2ccc(-c3cnc4ccc(/C=C5\SC(=O)NC5=O)nn34)cc2)CC1
InChIInChI=1S/C23H24N6O2S/c1-2-9-27-10-12-28(13-11-27)18-6-3-16(4-7-18)19-15-24-21-8-5-17(26-29(19)21)14-20-22(30)25-23(31)32-20/h3-8,14-15H,2,9-13H2,1H3,(H,25,30,31)/b20-14-
InChIKeyUEPMTKPZPWREOU-ZHZULCJRSA-N
MW448.55 g/mol
LogP3.25
Rot. Bonds5

About (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 89494021) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID89494021
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN1CCN(c2ccc(-c3cnc4ccc(/C=C5\SC(=O)NC5=O)nn34)cc2)CC1
InChIInChI=1S/C23H24N6O2S/c1-2-9-27-10-12-28(13-11-27)18-6-3-16(4-7-18)19-15-24-21-8-5-17(26-29(19)21)14-20-22(30)25-23(31)32-20/h3-8,14-15H,2,9-13H2,1H3,(H,25,30,31)/b20-14-
InChIKeyUEPMTKPZPWREOU-ZHZULCJRSA-N
XLogP3.25
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 89494021) is (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCCN1CCN(c2ccc(-c3cnc4ccc(/C=C5\SC(=O)NC5=O)nn34)cc2)CC1.
What is the InChIKey of (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UEPMTKPZPWREOU-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-2-9-27-10-12-28(13-11-27)18-6-3-16(4-7-18)19-15-24-21-8-5-17(26-29(19)21)14-20-22(30)25-23(31)32-20/h3-8,14-15H,2,9-13H2,1H3,(H,25,30,31)/b20-14-.
What are the key properties of (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 448.55 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 89494021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).