(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

C22H21N5O2S — CID 172766225

IUPAC(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)N1CCc2cc(-n3cnc4ccc(/C=C5\SC(=O)NC5=O)nc43)ccc21
InChIInChI=1S/C22H21N5O2S/c1-22(2,3)27-9-8-13-10-15(5-7-17(13)27)26-12-23-16-6-4-14(24-19(16)26)11-18-20(28)25-21(29)30-18/h4-7,10-12H,8-9H2,1-3H3,(H,25,28,29)/b18-11-
InChIKeyMISAAOAUNGORIT-WQRHYEAKSA-N
MW419.51 g/mol
LogP3.91
Rot. Bonds2

About (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 172766225) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID172766225
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)N1CCc2cc(-n3cnc4ccc(/C=C5\SC(=O)NC5=O)nc43)ccc21
InChIInChI=1S/C22H21N5O2S/c1-22(2,3)27-9-8-13-10-15(5-7-17(13)27)26-12-23-16-6-4-14(24-19(16)26)11-18-20(28)25-21(29)30-18/h4-7,10-12H,8-9H2,1-3H3,(H,25,28,29)/b18-11-
InChIKeyMISAAOAUNGORIT-WQRHYEAKSA-N
XLogP3.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.91
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'}

Analyze (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

5-[[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 78108138
(5Z)-5-[[3-[3-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71550649
(5Z)-5-[[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71550646
(5Z)-5-[[3-[4-(4-ethylpiperazin-1-yl)phenyl]benzimidazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89493865
(5E)-5-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310749
(5E)-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310791
(5E)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310677
(5Z)-5-[[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 148796335
(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 87207747
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5Z)-5-[[6-(4-methylpiperazin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339492
(5Z)-5-[[6-(4-tert-butylphenyl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953793

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 172766225) is (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC(C)(C)N1CCc2cc(-n3cnc4ccc(/C=C5\SC(=O)NC5=O)nc43)ccc21.
What is the InChIKey of (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MISAAOAUNGORIT-WQRHYEAKSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-22(2,3)27-9-8-13-10-15(5-7-17(13)27)26-12-23-16-6-4-14(24-19(16)26)11-18-20(28)25-21(29)30-18/h4-7,10-12H,8-9H2,1-3H3,(H,25,28,29)/b18-11-.
What are the key properties of (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 419.51 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(1-tert-butyl-2,3-dihydroindol-5-yl)imidazo[4,5-b]pyridin-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 172766225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).