1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone

C24H16F6N2O3 — CID 149449262

IUPAC1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone
SMILESO=C(Cc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H16F6N2O3/c25-16-2-1-3-17(26)21(16)22-18(27)4-5-19(32-22)20(34)10-13-12-31-8-6-15(13)23(24(28,29)30)11-14(33)7-9-35-23/h1-9,12,14,33H,10-11H2/t14-,23+/m0/s1
InChIKeyYXHMWIDBFGAJOQ-LFVRLGFBSA-N
MW494.39 g/mol
LogP5.04
Rot. Bonds5

About 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone

1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone (PubChem CID 149449262) has the molecular formula C24H16F6N2O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone
PubChem CID149449262
Molecular FormulaC24H16F6N2O3
Molecular Weight494.39 g/mol
Exact Mass494.11
IUPAC Name1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone
SMILESO=C(Cc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H16F6N2O3/c25-16-2-1-3-17(26)21(16)22-18(27)4-5-19(32-22)20(34)10-13-12-31-8-6-15(13)23(24(28,29)30)11-14(33)7-9-35-23/h1-9,12,14,33H,10-11H2/t14-,23+/m0/s1
InChIKeyYXHMWIDBFGAJOQ-LFVRLGFBSA-N
XLogP5.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

3-(4-Acetylphenyl)-2,2-difluoro-3-hydroxy-1-pyridin-2-ylpropan-1-one
CID 145984277
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(5S,7S)-7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 56599948
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(5R,7R)-7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 56599950
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]pyridin-3-yl]pyridine-2-carboxamide
CID 56600339
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]pyridin-3-yl]pyridine-2-carboxamide
CID 56600340
6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 56600741
(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanone
CID 57899997
(3,4-difluorophenyl)-[5-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methanone
CID 57900013
(3S)-1-[3-(2-fluoro-4-methylphenyl)-5-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 58096135
(3S)-1-[2-(2,4-difluorophenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]-3-(1-hydroxy-6-methylpyridin-1-ium-3-yl)butan-1-one
CID 58403070
6-(2,6-Difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
CID 66654705
5-Fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 66654909

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone (CID 149449262) is 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone is O=C(Cc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone?
The InChIKey is YXHMWIDBFGAJOQ-LFVRLGFBSA-N. The full InChI is InChI=1S/C24H16F6N2O3/c25-16-2-1-3-17(26)21(16)22-18(27)4-5-19(32-22)20(34)10-13-12-31-8-6-15(13)23(24(28,29)30)11-14(33)7-9-35-23/h1-9,12,14,33H,10-11H2/t14-,23+/m0/s1.
What are the key properties of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone?
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone has a molecular weight of 494.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 149449262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).