3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide

C26H24FN7O3 — CID 178109200

IUPAC3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(-c2ccc(-n3cnn(C)c3=O)cn2)ccc(F)c1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C26H24FN7O3/c1-3-19-20(22-10-7-18(14-29-22)34-15-30-31(2)25(34)36)8-9-21(27)23(19)33-12-11-32(26(33)37)17-6-4-5-16(13-17)24(28)35/h4-10,13-15H,3,11-12H2,1-2H3,(H2,28,35)
InChIKeyFFQYGPRWIGHLHN-UHFFFAOYSA-N
MW501.52 g/mol
LogP2.88
Rot. Bonds6

About 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide

3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109200) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109200
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(-c2ccc(-n3cnn(C)c3=O)cn2)ccc(F)c1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C26H24FN7O3/c1-3-19-20(22-10-7-18(14-29-22)34-15-30-31(2)25(34)36)8-9-21(27)23(19)33-12-11-32(26(33)37)17-6-4-5-16(13-17)24(28)35/h4-10,13-15H,3,11-12H2,1-2H3,(H2,28,35)
InChIKeyFFQYGPRWIGHLHN-UHFFFAOYSA-N
XLogP2.88
TPSA119.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The IUPAC name of 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109200) is 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide is CCc1c(-c2ccc(-n3cnn(C)c3=O)cn2)ccc(F)c1N1CCN(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The InChIKey is FFQYGPRWIGHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-3-19-20(22-10-7-18(14-29-22)34-15-30-31(2)25(34)36)8-9-21(27)23(19)33-12-11-32(26(33)37)17-6-4-5-16(13-17)24(28)35/h4-10,13-15H,3,11-12H2,1-2H3,(H2,28,35).
What are the key properties of 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 501.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).