(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F3N7O2S — CID 44622063

IUPAC(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C/Nc2ccc3c(cnn3C3CCN(C)CC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C24H26F3N7O2S/c1-3-33-22(36)20(37-23(33)18(11-28)21(35)30-14-24(25,26)27)13-29-16-4-5-19-15(10-16)12-31-34(19)17-6-8-32(2)9-7-17/h4-5,10,12-13,17,29H,3,6-9,14H2,1-2H3,(H,30,35)/b20-13-,23-18+
InChIKeyZJDJPNCQNBCFDA-JNZBFJSESA-N
MW533.58 g/mol
LogP1.75
Rot. Bonds6

About (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 44622063) has the molecular formula C24H26F3N7O2S and a molecular weight of 533.58 g/mol. Its IUPAC name is (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID44622063
Molecular FormulaC24H26F3N7O2S
Molecular Weight533.58 g/mol
Exact Mass533.18
IUPAC Name(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C/Nc2ccc3c(cnn3C3CCN(C)CC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C24H26F3N7O2S/c1-3-33-22(36)20(37-23(33)18(11-28)21(35)30-14-24(25,26)27)13-29-16-4-5-19-15(10-16)12-31-34(19)17-6-8-32(2)9-7-17/h4-5,10,12-13,17,29H,3,6-9,14H2,1-2H3,(H,30,35)/b20-13-,23-18+
InChIKeyZJDJPNCQNBCFDA-JNZBFJSESA-N
XLogP1.75
TPSA107.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.58
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

(2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
CID 44621860
(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 44621731
2-cyano-2-[3-ethyl-4-oxo-5-[[3-[(2-pyrrolidin-1-ylacetyl)amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 71210771
(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[(2-pyrrolidin-1-ylacetyl)amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 58796538
N-[3-[[(E)-[(2Z)-2-[1-cyano-2-oxo-2-(2,2,2-trifluoroethylamino)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 58796341
N-[3-[[(E)-[(2Z)-2-[1-cyano-2-oxo-2-(2,2,2-trifluoroethylamino)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]amino]phenyl]-2-methylpropanamide
CID 58795928
(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 58796107
(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(3,5-dimethylpiperidin-1-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 58796574
(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 59202909
2-cyano-2-[5-[[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 70918677
(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 58795859
2-cyano-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
CID 70918490

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 44622063) is (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C/Nc2ccc3c(cnn3C3CCN(C)CC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F.
What is the InChIKey of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZJDJPNCQNBCFDA-JNZBFJSESA-N. The full InChI is InChI=1S/C24H26F3N7O2S/c1-3-33-22(36)20(37-23(33)18(11-28)21(35)30-14-24(25,26)27)13-29-16-4-5-19-15(10-16)12-31-34(19)17-6-8-32(2)9-7-17/h4-5,10,12-13,17,29H,3,6-9,14H2,1-2H3,(H,30,35)/b20-13-,23-18+.
What are the key properties of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 533.58 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(1-methylpiperidin-4-yl)indazol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 44622063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).