6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one

C32H29FN2O2S — CID 91459962

IUPAC6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one
SMILESCc1cccnc1-c1cc(-c2c(C)c(C)c(-c3cccc(F)c3O)n(CCc3ccccc3)c2=O)sc1C
InChIInChI=1S/C32H29FN2O2S/c1-19-10-9-16-34-29(19)25-18-27(38-22(25)4)28-20(2)21(3)30(24-13-8-14-26(33)31(24)36)35(32(28)37)17-15-23-11-6-5-7-12-23/h5-14,16,18,36H,15,17H2,1-4H3
InChIKeyFGUCYGPAJJNNJP-UHFFFAOYSA-N
MW524.66 g/mol
LogP7.63
Rot. Bonds6

About 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one

6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one (PubChem CID 91459962) has the molecular formula C32H29FN2O2S and a molecular weight of 524.66 g/mol. Its IUPAC name is 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one
PubChem CID91459962
Molecular FormulaC32H29FN2O2S
Molecular Weight524.66 g/mol
Exact Mass524.19
IUPAC Name6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one
SMILESCc1cccnc1-c1cc(-c2c(C)c(C)c(-c3cccc(F)c3O)n(CCc3ccccc3)c2=O)sc1C
InChIInChI=1S/C32H29FN2O2S/c1-19-10-9-16-34-29(19)25-18-27(38-22(25)4)28-20(2)21(3)30(24-13-8-14-26(33)31(24)36)35(32(28)37)17-15-23-11-6-5-7-12-23/h5-14,16,18,36H,15,17H2,1-4H3
InChIKeyFGUCYGPAJJNNJP-UHFFFAOYSA-N
XLogP7.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one (CID 91459962) is 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one is Cc1cccnc1-c1cc(-c2c(C)c(C)c(-c3cccc(F)c3O)n(CCc3ccccc3)c2=O)sc1C.
What is the InChIKey of 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is FGUCYGPAJJNNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN2O2S/c1-19-10-9-16-34-29(19)25-18-27(38-22(25)4)28-20(2)21(3)30(24-13-8-14-26(33)31(24)36)35(32(28)37)17-15-23-11-6-5-7-12-23/h5-14,16,18,36H,15,17H2,1-4H3.
What are the key properties of 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one?
6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 524.66 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-hydroxyphenyl)-4,5-dimethyl-3-[5-methyl-4-(3-methyl-2-pyridinyl)thiophen-2-yl]-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 91459962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).