3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C124H107F26N13O17S5 — CID 159193206

IUPAC3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(C(F)(F)F)cc2)cc1CCC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(OC(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(F)cc(-c2ccc(OC(F)F)nc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2ccc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(C2CCC(C(F)(F)F)CN2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H20F5N3O3S.2C25H21F5N2O4S.C24H25F6N3O3S.C24H20F5N3O3S/c27-20-6-8-22(9-7-20)38(36,37)34-15-21(28)12-24(34)25(35)10-3-17-11-23(33-14-18(17)13-32)16-1-4-19(5-2-16)26(29,30)31;26-16-3-8-20(9-4-16)37(34,35)32-14-17(27)11-23(32)24(33)10-5-18-12-21(22(28)13-31-18)15-1-6-19(7-2-15)36-25(29)30;26-18-3-5-21(6-4-18)37(34,35)32-14-20(28)12-22(32)23(33)7-1-15-9-17(11-19(27)10-15)16-2-8-24(31-13-16)36-25(29)30;25-17-2-4-20(5-3-17)37(35,36)33-13-19(27)10-22(33)23(34)32-11-14-7-15(9-18(26)8-14)21-6-1-16(12-31-21)24(28,29)30;25-17-2-4-20(5-3-17)36(34,35)32-13-19(27)10-22(32)24(33)31-11-14-7-16(9-18(26)8-14)21-6-1-15(12-30-21)23(28)29/h1-2,4-9,11,14,21,24H,3,10,12,15H2;1-4,6-9,12-13,17,23,25H,5,10-11,14H2;2-6,8-11,13,20,22,25H,1,7,12,14H2;2-5,7-9,16,19,21-22,31H,1,6,10-13H2,(H,32,34);1-9,12,19,22-23H,10-11,13H2,(H,31,33)/t21-,24+;17-,23+;20-,22+;16?,19-,21?,22+;19-,22+/m11111/s1
InChIKeyKOIQTBODOGRDEB-DLWRWCCVSA-N
MW2705.58 g/mol
LogP23.31
Rot. Bonds38

About 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 159193206) has the molecular formula C124H107F26N13O17S5 and a molecular weight of 2705.58 g/mol. Its IUPAC name is 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID159193206
Molecular FormulaC124H107F26N13O17S5
Molecular Weight2705.58 g/mol
Exact Mass2703.61
IUPAC Name3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(C(F)(F)F)cc2)cc1CCC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(OC(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(F)cc(-c2ccc(OC(F)F)nc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2ccc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(C2CCC(C(F)(F)F)CN2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H20F5N3O3S.2C25H21F5N2O4S.C24H25F6N3O3S.C24H20F5N3O3S/c27-20-6-8-22(9-7-20)38(36,37)34-15-21(28)12-24(34)25(35)10-3-17-11-23(33-14-18(17)13-32)16-1-4-19(5-2-16)26(29,30)31;26-16-3-8-20(9-4-16)37(34,35)32-14-17(27)11-23(32)24(33)10-5-18-12-21(22(28)13-31-18)15-1-6-19(7-2-15)36-25(29)30;26-18-3-5-21(6-4-18)37(34,35)32-14-20(28)12-22(32)23(33)7-1-15-9-17(11-19(27)10-15)16-2-8-24(31-13-16)36-25(29)30;25-17-2-4-20(5-3-17)37(35,36)33-13-19(27)10-22(33)23(34)32-11-14-7-15(9-18(26)8-14)21-6-1-16(12-31-21)24(28,29)30;25-17-2-4-20(5-3-17)36(34,35)32-13-19(27)10-22(32)24(33)31-11-14-7-16(9-18(26)8-14)21-6-1-15(12-30-21)23(28)29/h1-2,4-9,11,14,21,24H,3,10,12,15H2;1-4,6-9,12-13,17,23,25H,5,10-11,14H2;2-6,8-11,13,20,22,25H,1,7,12,14H2;2-5,7-9,16,19,21-22,31H,1,6,10-13H2,(H,32,34);1-9,12,19,22-23H,10-11,13H2,(H,31,33)/t21-,24+;17-,23+;20-,22+;16?,19-,21?,22+;19-,22+/m11111/s1
InChIKeyKOIQTBODOGRDEB-DLWRWCCVSA-N
XLogP23.31
TPSA402.15 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002705.58
LogP ≤ 523.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

CID 157616632
CID 157616632
3-[2-chloro-6-[4-(difluoromethoxy)phenyl]-4-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[2-cyano-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;4-[3-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 157707109
3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonitrile;1-[(6S)-5-(4-fluorophenyl)sulfonyl-5-azaspiro[2.4]heptan-6-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one
CID 158669473
3-[3,5-difluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one
CID 158696565
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 158744774
(2S,4R)-N-[[6-[4-(difluoromethoxy)phenyl]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethoxy)piperidin-1-yl]-2-pyridinyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[5-(trifluoromethyl)pyrazin-2-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 158777117
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]propan-1-one;1-[(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-methyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 158842286
3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160045772
3-[3,5-difluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one
CID 161275835
3-[2-chloro-6-[4-(difluoromethoxy)phenyl]-4-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[2-cyano-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;4-[3-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 161694481
3-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(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-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one
CID 161706700
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-methoxy-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-3-carbonitrile
CID 161979946

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 159193206) is 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1cnc(-c2ccc(C(F)(F)F)cc2)cc1CCC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(OC(F)F)cc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(F)cc(-c2ccc(OC(F)F)nc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2ccc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(C2CCC(C(F)(F)F)CN2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is KOIQTBODOGRDEB-DLWRWCCVSA-N. The full InChI is InChI=1S/C26H20F5N3O3S.2C25H21F5N2O4S.C24H25F6N3O3S.C24H20F5N3O3S/c27-20-6-8-22(9-7-20)38(36,37)34-15-21(28)12-24(34)25(35)10-3-17-11-23(33-14-18(17)13-32)16-1-4-19(5-2-16)26(29,30)31;26-16-3-8-20(9-4-16)37(34,35)32-14-17(27)11-23(32)24(33)10-5-18-12-21(22(28)13-31-18)15-1-6-19(7-2-15)36-25(29)30;26-18-3-5-21(6-4-18)37(34,35)32-14-20(28)12-22(32)23(33)7-1-15-9-17(11-19(27)10-15)16-2-8-24(31-13-16)36-25(29)30;25-17-2-4-20(5-3-17)37(35,36)33-13-19(27)10-22(33)23(34)32-11-14-7-15(9-18(26)8-14)21-6-1-16(12-31-21)24(28,29)30;25-17-2-4-20(5-3-17)36(34,35)32-13-19(27)10-22(32)24(33)31-11-14-7-16(9-18(26)8-14)21-6-1-15(12-30-21)23(28)29/h1-2,4-9,11,14,21,24H,3,10,12,15H2;1-4,6-9,12-13,17,23,25H,5,10-11,14H2;2-6,8-11,13,20,22,25H,1,7,12,14H2;2-5,7-9,16,19,21-22,31H,1,6,10-13H2,(H,32,34);1-9,12,19,22-23H,10-11,13H2,(H,31,33)/t21-,24+;17-,23+;20-,22+;16?,19-,21?,22+;19-,22+/m11111/s1.
What are the key properties of 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 2705.58 g/mol, XLogP of 23.31, 38 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;3-[3-[6-(difluoromethoxy)-3-pyridinyl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[5-(difluoromethyl)-2-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)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 159193206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).