(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one

C32H23F6NO2 — CID 148914381

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
SMILESO=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C32H23F6NO2/c33-24-9-8-20-6-7-22(30(20)18-24)14-27(40)15-23(11-19-12-25(34)17-26(35)13-19)31-29(5-2-10-39-31)21-3-1-4-28(16-21)41-32(36,37)38/h1-5,7-10,12-13,16-18,23H,6,11,14-15H2/t23-/m1/s1
InChIKeyPJGGNUBSFZGWDG-HSZRJFAPSA-N
MW567.53 g/mol
LogP8.38
Rot. Bonds9

About (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one (PubChem CID 148914381) has the molecular formula C32H23F6NO2 and a molecular weight of 567.53 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
PubChem CID148914381
Molecular FormulaC32H23F6NO2
Molecular Weight567.53 g/mol
Exact Mass567.16
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
SMILESO=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C32H23F6NO2/c33-24-9-8-20-6-7-22(30(20)18-24)14-27(40)15-23(11-19-12-25(34)17-26(35)13-19)31-29(5-2-10-39-31)21-3-1-4-28(16-21)41-32(36,37)38/h1-5,7-10,12-13,16-18,23H,6,11,14-15H2/t23-/m1/s1
InChIKeyPJGGNUBSFZGWDG-HSZRJFAPSA-N
XLogP8.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.53
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
CID 152945139
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one
CID 152976672
2-chloro-4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide
CID 147184600
4-[6-amino-3-(3-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
CID 149489425
(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158575213
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid
CID 159649152
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-methyl-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-methyl-1H-indene;2-(6-methyl-3H-inden-1-yl)acetic acid;methyl 2-(6-methyl-3H-inden-1-yl)acetate;methyl 2-(6-methyl-3H-inden-1-yl)-2-oxoacetate;hydrate
CID 161146848
5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158419722
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
CID 158246258
2-[1-tert-butylsulfinyl-3-(3,5-difluorophenyl)propan-2-yl]-3-(4-chlorophenyl)pyrazine;1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethanamine;4-[3-(4-chlorophenyl)pyrazin-2-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;2-(6-hydroxy-3H-inden-1-yl)acetic acid;methane;molecular hydrogen
CID 157200011
3-[2-[2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90150099
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide
CID 157400907

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one (CID 148914381) is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one is O=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one?
The InChIKey is PJGGNUBSFZGWDG-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H23F6NO2/c33-24-9-8-20-6-7-22(30(20)18-24)14-27(40)15-23(11-19-12-25(34)17-26(35)13-19)31-29(5-2-10-39-31)21-3-1-4-28(16-21)41-32(36,37)38/h1-5,7-10,12-13,16-18,23H,6,11,14-15H2/t23-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one has a molecular weight of 567.53 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 148914381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).