(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C23H22N4O3S — CID 118090634

IUPAC(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(Cc2ccc(-c3cncc4cc(/C=C5/SC(=O)NC5=O)oc34)cc2)CC1
InChIInChI=1S/C23H22N4O3S/c1-26-6-8-27(9-7-26)14-15-2-4-16(5-3-15)19-13-24-12-17-10-18(30-21(17)19)11-20-22(28)25-23(29)31-20/h2-5,10-13H,6-9,14H2,1H3,(H,25,28,29)/b20-11+
InChIKeyHPMGVMMAXOXOPU-RGVLZGJSSA-N
MW434.52 g/mol
LogP3.57
Rot. Bonds4

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

(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090634) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090634
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(Cc2ccc(-c3cncc4cc(/C=C5/SC(=O)NC5=O)oc34)cc2)CC1
InChIInChI=1S/C23H22N4O3S/c1-26-6-8-27(9-7-26)14-15-2-4-16(5-3-15)19-13-24-12-17-10-18(30-21(17)19)11-20-22(28)25-23(29)31-20/h2-5,10-13H,6-9,14H2,1H3,(H,25,28,29)/b20-11+
InChIKeyHPMGVMMAXOXOPU-RGVLZGJSSA-N
XLogP3.57
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.57
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 (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090236
(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089797
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090590
(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090108
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
(5Z)-5-[[7-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090310
(5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090697
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
N-tert-butyl-4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 140751541
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090194
(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090608

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090634) is (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN1CCN(Cc2ccc(-c3cncc4cc(/C=C5/SC(=O)NC5=O)oc34)cc2)CC1.
What is the InChIKey of (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HPMGVMMAXOXOPU-RGVLZGJSSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-26-6-8-27(9-7-26)14-15-2-4-16(5-3-15)19-13-24-12-17-10-18(30-21(17)19)11-20-22(28)25-23(29)31-20/h2-5,10-13H,6-9,14H2,1H3,(H,25,28,29)/b20-11+.
What are the key properties of (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 434.52 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).