1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

C14H10F3N5O2 — CID 177168133

IUPAC1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(-n3ccnc3)n2)C1=O
InChIInChI=1S/C14H10F3N5O2/c1-8-6-11(23)22(13(8)24)20-10-3-2-9(14(15,16)17)12(19-10)21-5-4-18-7-21/h2-7H,1H3,(H,19,20)
InChIKeyDLLNYQWCAJSYPV-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.93
Rot. Bonds3

About 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168133) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177168133
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(-n3ccnc3)n2)C1=O
InChIInChI=1S/C14H10F3N5O2/c1-8-6-11(23)22(13(8)24)20-10-3-2-9(14(15,16)17)12(19-10)21-5-4-18-7-21/h2-7H,1H3,(H,19,20)
InChIKeyDLLNYQWCAJSYPV-UHFFFAOYSA-N
XLogP1.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methyl-1H-imidazole-2-carbohydrazide
CID 1487166
5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 66020846
3-Methyl-1-[[2-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyrrole-2,5-dione
CID 175683817
5-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 176119614
3-Methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167968
1-[[2-(3,3-Difluoropiperidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 177168004
1-[[2-(3,3-Difluoroazetidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 177168009
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168027
3,4-Dimethyl-1-[[2-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyrrole-2,5-dione
CID 177168069
3-Methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
3-Methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168140
1-[[6-(Dimethylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168147

Frequently Asked Questions

What is the IUPAC name of 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177168133) is 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(-n3ccnc3)n2)C1=O.
What is the InChIKey of 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is DLLNYQWCAJSYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-8-6-11(23)22(13(8)24)20-10-3-2-9(14(15,16)17)12(19-10)21-5-4-18-7-21/h2-7H,1H3,(H,19,20).
What are the key properties of 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 337.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-imidazol-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).