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

C26H24F3N7O3S — CID 70918599

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

2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 70918599) has the molecular formula C26H24F3N7O3S and a molecular weight of 571.59 g/mol. Its IUPAC name is 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 70918599
• Molecular Formula: C26H24F3N7O3S
• Molecular Weight: 571.59 g/mol
• Exact Mass: 571.16
• IUPAC Name: 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=C(C#N)C(=O)NCC(F)(F)F)sc(=CNc2cccc(NC(=O)CN3CCc4ccccc43)n2)c1=O
• InChI: InChI=1S/C26H24F3N7O3S/c1-2-36-24(39)19(40-25(36)17(12-30)23(38)32-15-26(27,28)29)13-31-20-8-5-9-21(33-20)34-22(37)14-35-11-10-16-6-3-4-7-18(16)35/h3-9,13H,2,10-11,14-15H2,1H3,(H,32,38)(H2,31,33,34,37)
• InChIKey: LHCVBOBMLKSCJJ-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 132.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.59
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 70918599) is 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=C(C#N)C(=O)NCC(F)(F)F)sc(=CNc2cccc(NC(=O)CN3CCc4ccccc43)n2)c1=O.

What is the InChIKey of 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is LHCVBOBMLKSCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O3S/c1-2-36-24(39)19(40-25(36)17(12-30)23(38)32-15-26(27,28)29)13-31-20-8-5-9-21(33-20)34-22(37)14-35-11-10-16-6-3-4-7-18(16)35/h3-9,13H,2,10-11,14-15H2,1H3,(H,32,38)(H2,31,33,34,37).

What are the key properties of 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 571.59 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[5-[[[6-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 70918599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).