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

C124H106F28N16O17S5 — CID 158842286

IUPAC1-[(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
SMILESCC1(F)C[C@@H](C(=O)CCc2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)N(S(=O)(=O)c2ccc(F)cc2)C1.COc1nc(C(F)(F)F)ccc1-c1cc(F)cc(CCC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3ccc(C(F)(F)F)nn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)cn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.Cc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C26H22F6N2O4S.2C25H21F6N3O3S.C25H22F5N3O4S.C23H20F5N5O3S/c1-38-25-21(7-9-24(33-25)26(30,31)32)16-10-15(11-18(28)12-16)2-8-23(35)22-13-19(29)14-34(22)39(36,37)20-5-3-17(27)4-6-20;1-24(28)13-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)8-2-15-10-16(12-18(27)11-15)20-7-9-23(33-32-20)25(29,30)31;1-24(28)11-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)7-2-15-8-16(10-18(27)9-15)20-12-33-23(13-32-20)25(29,30)31;1-24(27)13-22(33(14-24)38(35,36)20-9-4-17(26)5-10-20)23(34)11-6-18-12-21(32-15-31-18)16-2-7-19(8-3-16)37-25(28,29)30;1-13-6-14(7-19(32-13)15-10-30-22(31-11-15)23(26,27)28)9-29-21(34)20-8-17(25)12-33(20)37(35,36)18-4-2-16(24)3-5-18/h3-7,9-12,19,22H,2,8,13-14H2,1H3;3-7,9-12,21H,2,8,13-14H2,1H3;3-6,8-10,12-13,21H,2,7,11,14H2,1H3;2-5,7-10,12,15,22H,6,11,13-14H2,1H3;2-7,10-11,17,20H,8-9,12H2,1H3,(H,29,34)/t19-,22+;2*21-,24+;22-,24?;17-,20+/m10001/s1
InChIKeyIYJWKXKFYYHEKP-MLYBNRODSA-N
MW2784.59 g/mol
LogP23.92
Rot. Bonds36

About 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

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 (PubChem CID 158842286) has the molecular formula C124H106F28N16O17S5 and a molecular weight of 2784.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID158842286
Molecular FormulaC124H106F28N16O17S5
Molecular Weight2784.59 g/mol
Exact Mass2782.61
IUPAC Name1-[(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
SMILESCC1(F)C[C@@H](C(=O)CCc2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)N(S(=O)(=O)c2ccc(F)cc2)C1.COc1nc(C(F)(F)F)ccc1-c1cc(F)cc(CCC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3ccc(C(F)(F)F)nn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)cn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.Cc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C26H22F6N2O4S.2C25H21F6N3O3S.C25H22F5N3O4S.C23H20F5N5O3S/c1-38-25-21(7-9-24(33-25)26(30,31)32)16-10-15(11-18(28)12-16)2-8-23(35)22-13-19(29)14-34(22)39(36,37)20-5-3-17(27)4-6-20;1-24(28)13-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)8-2-15-10-16(12-18(27)11-15)20-7-9-23(33-32-20)25(29,30)31;1-24(28)11-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)7-2-15-8-16(10-18(27)9-15)20-12-33-23(13-32-20)25(29,30)31;1-24(27)13-22(33(14-24)38(35,36)20-9-4-17(26)5-10-20)23(34)11-6-18-12-21(32-15-31-18)16-2-7-19(8-3-16)37-25(28,29)30;1-13-6-14(7-19(32-13)15-10-30-22(31-11-15)23(26,27)28)9-29-21(34)20-8-17(25)12-33(20)37(35,36)18-4-2-16(24)3-5-18/h3-7,9-12,19,22H,2,8,13-14H2,1H3;3-7,9-12,21H,2,8,13-14H2,1H3;3-6,8-10,12-13,21H,2,7,11,14H2,1H3;2-5,7-10,12,15,22H,6,11,13-14H2,1H3;2-7,10-11,17,20H,8-9,12H2,1H3,(H,29,34)/t19-,22+;2*21-,24+;22-,24?;17-,20+/m10001/s1
InChIKeyIYJWKXKFYYHEKP-MLYBNRODSA-N
XLogP23.92
TPSA431.64 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.59
LogP ≤ 523.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;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-[(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;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;(2S)-1-(4-fluorophenyl)sulfonyl-5,5-dimethyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 157318345
1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;3-[5-(difluoromethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 157409032
1-[(3R,6S)-2,2-difluoro-5-(4-fluorophenyl)sulfonyl-5-azaspiro[2.4]heptan-6-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]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
CID 157424030
3-[2-(azetidin-1-yl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[3-(difluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157469212
3-[6-(4-cyclopropylphenyl)pyrimidin-4-yl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-1-(3,4-difluorophenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 157631198
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-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]propan-1-one
CID 157712923
3-[5-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[5-(difluoromethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 157713434
3-[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methoxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methyl-1-pyridin-4-ylsulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157760539
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(N'-methylcarbamimidoyl)phenyl]-2-pyridinyl]ethyl]-2-indazol-1-ylacetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-morpholin-4-ylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157781022
(2S,4R)-N-[[2-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[6-[4-(difluoromethyl)-3-fluorophenyl]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-4-yl]propan-1-one
CID 157805467
1-[6-(4-Fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;(4-methylpiperazin-1-yl)-[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methanone;6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 157828776

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(F)C[C@@H](C(=O)CCc2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)N(S(=O)(=O)c2ccc(F)cc2)C1.COc1nc(C(F)(F)F)ccc1-c1cc(F)cc(CCC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3ccc(C(F)(F)F)nn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)cn3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.Cc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 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?
The InChIKey is IYJWKXKFYYHEKP-MLYBNRODSA-N. The full InChI is InChI=1S/C26H22F6N2O4S.2C25H21F6N3O3S.C25H22F5N3O4S.C23H20F5N5O3S/c1-38-25-21(7-9-24(33-25)26(30,31)32)16-10-15(11-18(28)12-16)2-8-23(35)22-13-19(29)14-34(22)39(36,37)20-5-3-17(27)4-6-20;1-24(28)13-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)8-2-15-10-16(12-18(27)11-15)20-7-9-23(33-32-20)25(29,30)31;1-24(28)11-21(34(14-24)38(36,37)19-5-3-17(26)4-6-19)22(35)7-2-15-8-16(10-18(27)9-15)20-12-33-23(13-32-20)25(29,30)31;1-24(27)13-22(33(14-24)38(35,36)20-9-4-17(26)5-10-20)23(34)11-6-18-12-21(32-15-31-18)16-2-7-19(8-3-16)37-25(28,29)30;1-13-6-14(7-19(32-13)15-10-30-22(31-11-15)23(26,27)28)9-29-21(34)20-8-17(25)12-33(20)37(35,36)18-4-2-16(24)3-5-18/h3-7,9-12,19,22H,2,8,13-14H2,1H3;3-7,9-12,21H,2,8,13-14H2,1H3;3-6,8-10,12-13,21H,2,7,11,14H2,1H3;2-5,7-10,12,15,22H,6,11,13-14H2,1H3;2-7,10-11,17,20H,8-9,12H2,1H3,(H,29,34)/t19-,22+;2*21-,24+;22-,24?;17-,20+/m10001/s1.
What are the key properties of 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?
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 has a molecular weight of 2784.59 g/mol, XLogP of 23.92, 36 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158842286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).