3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C93H76F23N13O13S4 — CID 157328967

IUPAC3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(CCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2cc(C(F)(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)cc2=O)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)n2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H21F5N2O3S.C24H19F6N3O4S.2C22H18F6N4O3S/c26-17-5-8-20(9-6-17)36(34,35)32-14-18(27)11-23(32)24(33)10-7-19-12-21(22(28)13-31-19)15-1-3-16(4-2-15)25(29)30;25-16-1-3-20(4-2-16)38(36,37)33-13-18(27)11-21(33)23(35)31-12-14-7-17(26)10-19(8-14)32-6-5-15(9-22(32)34)24(28,29)30;23-15-1-3-19(4-2-15)36(34,35)32-12-17(25)8-20(32)21(33)29-9-13-5-16(24)7-18(6-13)31-11-14(10-30-31)22(26,27)28;23-14-1-3-18(4-2-14)36(34,35)32-12-16(25)10-19(32)21(33)29-11-13-7-15(24)9-17(8-13)31-6-5-20(30-31)22(26,27)28/h1-6,8-9,12-13,18,23,25H,7,10-11,14H2;1-10,18,21H,11-13H2,(H,31,35);1-7,10-11,17,20H,8-9,12H2,(H,29,33);1-9,16,19H,10-12H2,(H,29,33)/t18-,23+;18-,21+;17-,20+;16-,19+/m1111/s1
InChIKeyBFBGMGTVIFFZCN-PMRAVFOISA-N
MW2148.93 g/mol
LogP15.99
Rot. Bonds26

About 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide

3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 157328967) has the molecular formula C93H76F23N13O13S4 and a molecular weight of 2148.93 g/mol. Its IUPAC name is 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID157328967
Molecular FormulaC93H76F23N13O13S4
Molecular Weight2148.93 g/mol
Exact Mass2147.42
IUPAC Name3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(CCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2cc(C(F)(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)cc2=O)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)n2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H21F5N2O3S.C24H19F6N3O4S.2C22H18F6N4O3S/c26-17-5-8-20(9-6-17)36(34,35)32-14-18(27)11-23(32)24(33)10-7-19-12-21(22(28)13-31-19)15-1-3-16(4-2-15)25(29)30;25-16-1-3-20(4-2-16)38(36,37)33-13-18(27)11-21(33)23(35)31-12-14-7-17(26)10-19(8-14)32-6-5-15(9-22(32)34)24(28,29)30;23-15-1-3-19(4-2-15)36(34,35)32-12-17(25)8-20(32)21(33)29-9-13-5-16(24)7-18(6-13)31-11-14(10-30-31)22(26,27)28;23-14-1-3-18(4-2-14)36(34,35)32-12-16(25)10-19(32)21(33)29-11-13-7-15(24)9-17(8-13)31-6-5-20(30-31)22(26,27)28/h1-6,8-9,12-13,18,23,25H,7,10-11,14H2;1-10,18,21H,11-13H2,(H,31,35);1-7,10-11,17,20H,8-9,12H2,(H,29,33);1-9,16,19H,10-12H2,(H,29,33)/t18-,23+;18-,21+;17-,20+;16-,19+/m1111/s1
InChIKeyBFBGMGTVIFFZCN-PMRAVFOISA-N
XLogP15.99
TPSA324.42 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.93
LogP ≤ 515.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one;(2S)-1-[(2S)-4-[4-(2,2-dimethylpropanoyl)phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 158510436
(2S,4R)-N-[[2-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 158634494
5-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-N-methylpyridine-2-carboxamide;4-(2,4-difluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzenesulfonamide;4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyltriazole;1-methyl-4-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyrazole
CID 159257911
(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-5,5-dimethyl-4-oxo-2-propan-2-ylhexanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one;(2S)-1-[(2S)-4-[4-(2,2-dimethylpropanoyl)phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 161877579
4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide
CID 157458833
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyrrol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 158432314
bis(2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one);2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 160544835
N-[[3-(2-acetamidoethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 160747167
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyrrol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 161062912
2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyrrol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 161734599
2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);N-[1-[3-[2-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropyl-1-phenylpropyl]methanesulfonamide
CID 161789575
2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 162216916

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 157328967) is 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(CCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2cc(C(F)(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)cc2=O)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-n2ccc(C(F)(F)F)n2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BFBGMGTVIFFZCN-PMRAVFOISA-N. The full InChI is InChI=1S/C25H21F5N2O3S.C24H19F6N3O4S.2C22H18F6N4O3S/c26-17-5-8-20(9-6-17)36(34,35)32-14-18(27)11-23(32)24(33)10-7-19-12-21(22(28)13-31-19)15-1-3-16(4-2-15)25(29)30;25-16-1-3-20(4-2-16)38(36,37)33-13-18(27)11-21(33)23(35)31-12-14-7-17(26)10-19(8-14)32-6-5-15(9-22(32)34)24(28,29)30;23-15-1-3-19(4-2-15)36(34,35)32-12-17(25)8-20(32)21(33)29-9-13-5-16(24)7-18(6-13)31-11-14(10-30-31)22(26,27)28;23-14-1-3-18(4-2-14)36(34,35)32-12-16(25)10-19(32)21(33)29-11-13-7-15(24)9-17(8-13)31-6-5-20(30-31)22(26,27)28/h1-6,8-9,12-13,18,23,25H,7,10-11,14H2;1-10,18,21H,11-13H2,(H,31,35);1-7,10-11,17,20H,8-9,12H2,(H,29,33);1-9,16,19H,10-12H2,(H,29,33)/t18-,23+;18-,21+;17-,20+;16-,19+/m1111/s1.
What are the key properties of 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2148.93 g/mol, XLogP of 15.99, 26 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 157328967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).