1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione

C19H15IN4O3 — CID 168557338

IUPAC1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc(-c3cn4cc(I)ccc4n3)c2)C(=O)N1CCO
InChIInChI=1S/C19H15IN4O3/c20-13-4-5-17-22-16(11-23(17)10-13)12-2-1-3-14(8-12)21-15-9-18(26)24(6-7-25)19(15)27/h1-5,8-11,21,25H,6-7H2
InChIKeyMLUBQTOOUVULQM-UHFFFAOYSA-N
MW474.26 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione (PubChem CID 168557338) has the molecular formula C19H15IN4O3 and a molecular weight of 474.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
PubChem CID168557338
Molecular FormulaC19H15IN4O3
Molecular Weight474.26 g/mol
Exact Mass474.02
IUPAC Name1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc(-c3cn4cc(I)ccc4n3)c2)C(=O)N1CCO
InChIInChI=1S/C19H15IN4O3/c20-13-4-5-17-22-16(11-23(17)10-13)12-2-1-3-14(8-12)21-15-9-18(26)24(6-7-25)19(15)27/h1-5,8-11,21,25H,6-7H2
InChIKeyMLUBQTOOUVULQM-UHFFFAOYSA-N
XLogP2.26
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558080
1-(2-hydroxyethyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557915
1-(2-hydroxyethyl)-3-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]pyrrole-2,5-dione
CID 168557973
1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol
CID 168640406
1-(2-hydroxyethyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557966
3-[3-(4-bromo-1-methylpyrazol-5-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556877
3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556942
4-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 168557490
N-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1480562
1-(2-hydroxyethyl)-3-[3-(1,3,4-thiadiazol-2-yloxy)anilino]pyrrole-2,5-dione
CID 168559149
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935
1-(2-hydroxyethyl)-3-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]pyrrole-2,5-dione
CID 168560502

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione (CID 168557338) is 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione is O=C1C=C(Nc2cccc(-c3cn4cc(I)ccc4n3)c2)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione?
The InChIKey is MLUBQTOOUVULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O3/c20-13-4-5-17-22-16(11-23(17)10-13)12-2-1-3-14(8-12)21-15-9-18(26)24(6-7-25)19(15)27/h1-5,8-11,21,25H,6-7H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione has a molecular weight of 474.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168557338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).