(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C92H80F20N14O12S7 — CID 163785872

IUPAC(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(F)(F)c1csc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)n1.CC(F)(F)c1nc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cs1.CC(F)(F)c1ncc(-c2cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c(F)cn2)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)s1
InChIInChI=1S/C23H20F5N5O3S.3C23H20F5N3O3S2/c1-23(27,28)22-31-9-14(10-32-22)19-6-13(18(26)11-29-19)8-30-21(34)20-7-16(25)12-33(20)37(35,36)17-4-2-15(24)3-5-17;1-23(27,28)22-30-11-20(35-22)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)12-31(19)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)22-30-19(12-35-22)14-6-13(7-16(25)8-14)10-29-21(32)20-9-17(26)11-31(20)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)20-12-35-22(30-20)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)11-31(19)36(33,34)18-4-2-15(24)3-5-18/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,30,34);2-8,11,17,19H,9-10,12H2,1H3,(H,29,32);2-8,12,17,20H,9-11H2,1H3,(H,29,32);2-8,12,17,19H,9-11H2,1H3,(H,29,32)/t16-,20+;17-,19+;17-,20+;17-,19+/m1111/s1
InChIKeyMSLPLCZFQWFWFB-SIEOQRJASA-N
MW2178.17 g/mol
LogP17.20
Rot. Bonds28

About (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 163785872) has the molecular formula C92H80F20N14O12S7 and a molecular weight of 2178.17 g/mol. Its IUPAC name is (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID163785872
Molecular FormulaC92H80F20N14O12S7
Molecular Weight2178.17 g/mol
Exact Mass2176.38
IUPAC Name(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(F)(F)c1csc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)n1.CC(F)(F)c1nc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cs1.CC(F)(F)c1ncc(-c2cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c(F)cn2)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)s1
InChIInChI=1S/C23H20F5N5O3S.3C23H20F5N3O3S2/c1-23(27,28)22-31-9-14(10-32-22)19-6-13(18(26)11-29-19)8-30-21(34)20-7-16(25)12-33(20)37(35,36)17-4-2-15(24)3-5-17;1-23(27,28)22-30-11-20(35-22)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)12-31(19)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)22-30-19(12-35-22)14-6-13(7-16(25)8-14)10-29-21(32)20-9-17(26)11-31(20)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)20-12-35-22(30-20)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)11-31(19)36(33,34)18-4-2-15(24)3-5-18/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,30,34);2-8,11,17,19H,9-10,12H2,1H3,(H,29,32);2-8,12,17,20H,9-11H2,1H3,(H,29,32);2-8,12,17,19H,9-11H2,1H3,(H,29,32)/t16-,20+;17-,19+;17-,20+;17-,19+/m1111/s1
InChIKeyMSLPLCZFQWFWFB-SIEOQRJASA-N
XLogP17.20
TPSA343.26 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.17
LogP ≤ 517.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 157130728
(2S,4R)-N-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-fluoro-3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one
CID 157480067
(2S,4R)-N-[[2,3-difluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-fluoro-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 157619750
CID 158125706
CID 158125706
Bis(2-[1-(benzenesulfonyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole);4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;1-methylpiperazine
CID 158151271
(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 158295381
(2S)-N-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]-1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1R,3S,5R)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;(2S,5R)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 158987807
(2S,4R)-N-[[2-[2-amino-6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[2-ethyl-6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one;(1S,5R)-2-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-2-azabicyclo[3.1.0]hexane-1-carboxamide
CID 159424762
Bis(2-[1-(benzenesulfonyl)-5-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole);4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;pyrrolidine
CID 159592112
6-(Diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[1-(1,3-thiazol-2-ylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfinyl)phenyl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-2-[4-(piperidin-3-ylamino)anilino]-8-[(4-pyridin-4-ylsulfonyl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159700245
1-[(2S,4S)-4-fluoro-4-(fluoromethyl)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;2-[3-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide;(2S,5R)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 159874116
2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
CID 160087342

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 163785872) is (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CC(F)(F)c1csc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)n1.CC(F)(F)c1nc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cs1.CC(F)(F)c1ncc(-c2cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c(F)cn2)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)s1.
What is the InChIKey of (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MSLPLCZFQWFWFB-SIEOQRJASA-N. The full InChI is InChI=1S/C23H20F5N5O3S.3C23H20F5N3O3S2/c1-23(27,28)22-31-9-14(10-32-22)19-6-13(18(26)11-29-19)8-30-21(34)20-7-16(25)12-33(20)37(35,36)17-4-2-15(24)3-5-17;1-23(27,28)22-30-11-20(35-22)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)12-31(19)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)22-30-19(12-35-22)14-6-13(7-16(25)8-14)10-29-21(32)20-9-17(26)11-31(20)36(33,34)18-4-2-15(24)3-5-18;1-23(27,28)20-12-35-22(30-20)14-6-13(7-16(25)8-14)10-29-21(32)19-9-17(26)11-31(19)36(33,34)18-4-2-15(24)3-5-18/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,30,34);2-8,11,17,19H,9-10,12H2,1H3,(H,29,32);2-8,12,17,20H,9-11H2,1H3,(H,29,32);2-8,12,17,19H,9-11H2,1H3,(H,29,32)/t16-,20+;17-,19+;17-,20+;17-,19+/m1111/s1.
What are the key properties of (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 2178.17 g/mol, XLogP of 17.20, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163785872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).