(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C28H23N5O4S — CID 135703395

IUPAC(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2[nH]c(C)c(/N=N/c3cccc(-c4cccc(/C=C5/SC(=O)NC5=O)c4)c3O)c2=O)cc1C
InChIInChI=1S/C28H23N5O4S/c1-15-10-11-20(12-16(15)2)33-27(36)24(17(3)32-33)31-30-22-9-5-8-21(25(22)34)19-7-4-6-18(13-19)14-23-26(35)29-28(37)38-23/h4-14,32,34H,1-3H3,(H,29,35,37)/b23-14+,31-30+
InChIKeyQFGGEKYLUNTBLP-VFOZGGOUSA-N
MW525.59 g/mol
LogP6.20
Rot. Bonds5

About (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 135703395) has the molecular formula C28H23N5O4S and a molecular weight of 525.59 g/mol. Its IUPAC name is (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID135703395
Molecular FormulaC28H23N5O4S
Molecular Weight525.59 g/mol
Exact Mass525.15
IUPAC Name(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2[nH]c(C)c(/N=N/c3cccc(-c4cccc(/C=C5/SC(=O)NC5=O)c4)c3O)c2=O)cc1C
InChIInChI=1S/C28H23N5O4S/c1-15-10-11-20(12-16(15)2)33-27(36)24(17(3)32-33)31-30-22-9-5-8-21(25(22)34)19-7-4-6-18(13-19)14-23-26(35)29-28(37)38-23/h4-14,32,34H,1-3H3,(H,29,35,37)/b23-14+,31-30+
InChIKeyQFGGEKYLUNTBLP-VFOZGGOUSA-N
XLogP6.20
TPSA128.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Eltrombopag
CID 135449332
tert-butyl N-[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]carbamate
CID 135848681
TPO agonist 1
CID 135451068
Eltrombopag ethanolamine
CID 136036248
Eltrombopag Methyl Ester
CID 136113727
Descarboxylic Acid Eltrombopag
CID 136401415
Eltrombopag metabolite G
CID 162368377
sodium 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoate
CID 136036247
3-(3-((2-(3,4-dimethylphenyl)-5-(113C)methyl-3-oxo-(3,4,5-13C3)1H-pyrazol-4-yl)diazenyl)-2-hydroxyphenyl)benzoic acid
CID 136205847
1,1,1-trifluoro-N-[3-[2-hydroxy-3-[[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]diazenyl]phenyl]phenyl]methanesulfonamide
CID 135448306
2-[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-fluoro-2-hydroxyphenyl]phenyl]propanoic acid
CID 135489568
3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-fluoro-2-hydroxyphenyl]benzoic acid
CID 135823060

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 135703395) is (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(-n2[nH]c(C)c(/N=N/c3cccc(-c4cccc(/C=C5/SC(=O)NC5=O)c4)c3O)c2=O)cc1C.
What is the InChIKey of (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QFGGEKYLUNTBLP-VFOZGGOUSA-N. The full InChI is InChI=1S/C28H23N5O4S/c1-15-10-11-20(12-16(15)2)33-27(36)24(17(3)32-33)31-30-22-9-5-8-21(25(22)34)19-7-4-6-18(13-19)14-23-26(35)29-28(37)38-23/h4-14,32,34H,1-3H3,(H,29,35,37)/b23-14+,31-30+.
What are the key properties of (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 525.59 g/mol, XLogP of 6.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 135703395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).