5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one

C26H26ClFN4O3 — CID 166166388

IUPAC5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4ccc(=O)n(C5CCNCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H26ClFN4O3/c1-30-10-11-31(26(30)35)23-4-2-16(12-22(23)27)20-13-18(28)14-21(25(20)34)17-3-5-24(33)32(15-17)19-6-8-29-9-7-19/h2-5,12-15,19,29,34H,6-11H2,1H3
InChIKeyGVFHFHMIJHSFLB-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.48
Rot. Bonds4

About 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one

5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one (PubChem CID 166166388) has the molecular formula C26H26ClFN4O3 and a molecular weight of 496.97 g/mol. Its IUPAC name is 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one
PubChem CID166166388
Molecular FormulaC26H26ClFN4O3
Molecular Weight496.97 g/mol
Exact Mass496.17
IUPAC Name5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4ccc(=O)n(C5CCNCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H26ClFN4O3/c1-30-10-11-31(26(30)35)23-4-2-16(12-22(23)27)20-13-18(28)14-21(25(20)34)17-3-5-24(33)32(15-17)19-6-8-29-9-7-19/h2-5,12-15,19,29,34H,6-11H2,1H3
InChIKeyGVFHFHMIJHSFLB-UHFFFAOYSA-N
XLogP4.48
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one?
The IUPAC name of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one (CID 166166388) is 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one is CN1CCN(c2ccc(-c3cc(F)cc(-c4ccc(=O)n(C5CCNCC5)c4)c3O)cc2Cl)C1=O.
What is the InChIKey of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one?
The InChIKey is GVFHFHMIJHSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O3/c1-30-10-11-31(26(30)35)23-4-2-16(12-22(23)27)20-13-18(28)14-21(25(20)34)17-3-5-24(33)32(15-17)19-6-8-29-9-7-19/h2-5,12-15,19,29,34H,6-11H2,1H3.
What are the key properties of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one?
5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one has a molecular weight of 496.97 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 166166388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).