(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile

C28H22N4O4S2 — CID 123189466

IUPAC(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C/c1ccc(-c2ccc(/C=c3\c(=C)c(C#N)c(O)n(CC)c3=O)s2)s1
InChIInChI=1S/C28H22N4O4S2/c1-5-31-25(33)19(15(3)21(13-29)27(31)35)11-17-7-9-23(37-17)24-10-8-18(38-24)12-20-16(4)22(14-30)28(36)32(6-2)26(20)34/h7-12,35-36H,3-6H2,1-2H3/b19-11+,20-12+
InChIKeyCEEPYIRJWLUKQF-AYKLPDECSA-N
MW542.64 g/mol
LogP1.47
Rot. Bonds5

About (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile

(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile (PubChem CID 123189466) has the molecular formula C28H22N4O4S2 and a molecular weight of 542.64 g/mol. Its IUPAC name is (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
PubChem CID123189466
Molecular FormulaC28H22N4O4S2
Molecular Weight542.64 g/mol
Exact Mass542.11
IUPAC Name(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C/c1ccc(-c2ccc(/C=c3\c(=C)c(C#N)c(O)n(CC)c3=O)s2)s1
InChIInChI=1S/C28H22N4O4S2/c1-5-31-25(33)19(15(3)21(13-29)27(31)35)11-17-7-9-23(37-17)24-10-8-18(38-24)12-20-16(4)22(14-30)28(36)32(6-2)26(20)34/h7-12,35-36H,3-6H2,1-2H3/b19-11+,20-12+
InChIKeyCEEPYIRJWLUKQF-AYKLPDECSA-N
XLogP1.47
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 90059119
(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123318503
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
(5Z)-1-ethyl-4-methyl-5-[(2-methylthieno[3,2-b]thiophen-5-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 169798939
6-hydroxy-1,4-dimethyl-2-oxo-5-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbonitrile
CID 19115052
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbonitrile
CID 19115182
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbonitrile
CID 19115183
6-hydroxy-4-methyl-2-oxo-5-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]-1-propylpyridine-3-carbonitrile
CID 19115315
6-hydroxy-4-methyl-2-oxo-5-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]-1-propylpyridine-3-carbonitrile
CID 19115316
1-butyl-6-hydroxy-4-methyl-2-oxo-5-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbonitrile
CID 19115449
1-butyl-6-hydroxy-4-methyl-2-oxo-5-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbonitrile
CID 19115450
6-Hydroxy-4-methyl-2-oxo-1-pentyl-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19115489

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The IUPAC name of (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile (CID 123189466) is (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The canonical SMILES for (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile is C=c1c(C#N)c(O)n(CC)c(=O)/c1=C/c1ccc(-c2ccc(/C=c3\c(=C)c(C#N)c(O)n(CC)c3=O)s2)s1.
What is the InChIKey of (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The InChIKey is CEEPYIRJWLUKQF-AYKLPDECSA-N. The full InChI is InChI=1S/C28H22N4O4S2/c1-5-31-25(33)19(15(3)21(13-29)27(31)35)11-17-7-9-23(37-17)24-10-8-18(38-24)12-20-16(4)22(14-30)28(36)32(6-2)26(20)34/h7-12,35-36H,3-6H2,1-2H3/b19-11+,20-12+.
What are the key properties of (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile has a molecular weight of 542.64 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123189466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).