2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C26H26FN7O3S — CID 70918637

IUPAC2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN3CCc4cc(F)ccc43)n2)c(=O)n1CC
InChIInChI=1S/C26H26FN7O3S/c1-3-29-24(36)18(13-28)26-34(4-2)25(37)20(38-26)14-30-21-6-5-7-22(31-21)32-23(35)15-33-11-10-16-12-17(27)8-9-19(16)33/h5-9,12,14H,3-4,10-11,15H2,1-2H3,(H,29,36)(H2,30,31,32,35)
InChIKeyXCWIBCOGPBVKSF-UHFFFAOYSA-N
MW535.61 g/mol
LogP1.13
Rot. Bonds8

About 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 70918637) has the molecular formula C26H26FN7O3S and a molecular weight of 535.61 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID70918637
Molecular FormulaC26H26FN7O3S
Molecular Weight535.61 g/mol
Exact Mass535.18
IUPAC Name2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN3CCc4cc(F)ccc43)n2)c(=O)n1CC
InChIInChI=1S/C26H26FN7O3S/c1-3-29-24(36)18(13-28)26-34(4-2)25(37)20(38-26)14-30-21-6-5-7-22(31-21)32-23(35)15-33-11-10-16-12-17(27)8-9-19(16)33/h5-9,12,14H,3-4,10-11,15H2,1-2H3,(H,29,36)(H2,30,31,32,35)
InChIKeyXCWIBCOGPBVKSF-UHFFFAOYSA-N
XLogP1.13
TPSA132.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.61
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 70918637) is 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN3CCc4cc(F)ccc43)n2)c(=O)n1CC.
What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is XCWIBCOGPBVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3S/c1-3-29-24(36)18(13-28)26-34(4-2)25(37)20(38-26)14-30-21-6-5-7-22(31-21)32-23(35)15-33-11-10-16-12-17(27)8-9-19(16)33/h5-9,12,14H,3-4,10-11,15H2,1-2H3,(H,29,36)(H2,30,31,32,35).
What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 535.61 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(5-fluoro-2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 70918637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).