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

C27H28ClFN4O3 — CID 166165739

IUPAC5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCCCC5)c(=O)n(C)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C27H28ClFN4O3/c1-30-10-11-33(27(30)36)23-7-6-17(12-22(23)28)20-14-19(29)15-21(25(20)34)18-13-24(26(35)31(2)16-18)32-8-4-3-5-9-32/h6-7,12-16,34H,3-5,8-11H2,1-2H3
InChIKeyQTCUXDWOCRBROG-UHFFFAOYSA-N
MW511.00 g/mol
LogP5.08
Rot. Bonds4

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

5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one (PubChem CID 166165739) has the molecular formula C27H28ClFN4O3 and a molecular weight of 511.00 g/mol. Its IUPAC name is 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one
PubChem CID166165739
Molecular FormulaC27H28ClFN4O3
Molecular Weight511.00 g/mol
Exact Mass510.18
IUPAC Name5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCCCC5)c(=O)n(C)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C27H28ClFN4O3/c1-30-10-11-33(27(30)36)23-7-6-17(12-22(23)28)20-14-19(29)15-21(25(20)34)18-13-24(26(35)31(2)16-18)32-8-4-3-5-9-32/h6-7,12-16,34H,3-5,8-11H2,1-2H3
InChIKeyQTCUXDWOCRBROG-UHFFFAOYSA-N
XLogP5.08
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.00
LogP ≤ 55.08
H-Bond Donors ≤ 51
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-methyl-3-piperidin-1-ylpyridin-2-one?
The IUPAC name of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one (CID 166165739) is 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-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-methyl-3-piperidin-1-ylpyridin-2-one?
The canonical SMILES for 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one is CN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCCCC5)c(=O)n(C)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-methyl-3-piperidin-1-ylpyridin-2-one?
The InChIKey is QTCUXDWOCRBROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN4O3/c1-30-10-11-33(27(30)36)23-7-6-17(12-22(23)28)20-14-19(29)15-21(25(20)34)18-13-24(26(35)31(2)16-18)32-8-4-3-5-9-32/h6-7,12-16,34H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one?
5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-3-piperidin-1-ylpyridin-2-one has a molecular weight of 511.00 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 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-methyl-3-piperidin-1-ylpyridin-2-one is sourced from PubChem (CID 166165739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).