(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C118H98F26N20O15S5 — CID 160622010

IUPAC(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)nc3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)C1C2CC(CC2F)N1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2ccc(C(F)F)cc2)ncn1)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)cn2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H21F6N3O3S.C25H21F5N4O3S.C23H18F6N4O3S.C23H20F4N4O3S.C22H18F5N5O3S/c1-24(28)11-21(34(14-24)38(36,37)20-5-3-18(26)4-6-20)22(35)7-2-15-8-16(10-19(27)9-15)17-12-32-23(33-13-17)25(29,30)31;26-15-2-5-18(6-3-15)38(36,37)34-17-10-19(20(27)11-17)24(34)22(35)7-4-16-9-21(33-13-32-16)14-1-8-23(31-12-14)25(28,29)30;24-15-2-4-17(5-3-15)37(35,36)33-12-16(25)8-20(33)22(34)32-9-14-7-13(1-6-18(14)26)19-10-31-21(11-30-19)23(27,28)29;24-16-5-7-18(8-6-16)35(33,34)31-10-9-19(25)21(31)23(32)28-12-17-11-20(30-13-29-17)14-1-3-15(4-2-14)22(26)27;23-15-1-3-18(4-2-15)36(34,35)32-12-16(24)8-19(32)20(33)29-11-17-7-13(5-6-28-17)14-9-30-21(31-10-14)22(25,26)27/h3-6,8-10,12-13,21H,2,7,11,14H2,1H3;1-3,5-6,8-9,12-13,17,19-20,24H,4,7,10-11H2;1-7,10-11,16,20H,8-9,12H2,(H,32,34);1-8,11,13,19,21-22H,9-10,12H2,(H,28,32);1-7,9-10,16,19H,8,11-12H2,(H,29,33)/t21-,24+;;16-,20+;19-,21-;16-,19+/m0.101/s1
InChIKeyRGVAYTOOCYKVNW-AVQVPZIBSA-N
MW2690.49 g/mol
LogP20.13
Rot. Bonds33

About (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 160622010) has the molecular formula C118H98F26N20O15S5 and a molecular weight of 2690.49 g/mol. Its IUPAC name is (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID160622010
Molecular FormulaC118H98F26N20O15S5
Molecular Weight2690.49 g/mol
Exact Mass2688.57
IUPAC Name(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)nc3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)C1C2CC(CC2F)N1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2ccc(C(F)F)cc2)ncn1)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)cn2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H21F6N3O3S.C25H21F5N4O3S.C23H18F6N4O3S.C23H20F4N4O3S.C22H18F5N5O3S/c1-24(28)11-21(34(14-24)38(36,37)20-5-3-18(26)4-6-20)22(35)7-2-15-8-16(10-19(27)9-15)17-12-32-23(33-13-17)25(29,30)31;26-15-2-5-18(6-3-15)38(36,37)34-17-10-19(20(27)11-17)24(34)22(35)7-4-16-9-21(33-13-32-16)14-1-8-23(31-12-14)25(28,29)30;24-15-2-4-17(5-3-15)37(35,36)33-12-16(25)8-20(33)22(34)32-9-14-7-13(1-6-18(14)26)19-10-31-21(11-30-19)23(27,28)29;24-16-5-7-18(8-6-16)35(33,34)31-10-9-19(25)21(31)23(32)28-12-17-11-20(30-13-29-17)14-1-3-15(4-2-14)22(26)27;23-15-1-3-18(4-2-15)36(34,35)32-12-16(24)8-19(32)20(33)29-11-17-7-13(5-6-28-17)14-9-30-21(31-10-14)22(25,26)27/h3-6,8-10,12-13,21H,2,7,11,14H2,1H3;1-3,5-6,8-9,12-13,17,19-20,24H,4,7,10-11H2;1-7,10-11,16,20H,8-9,12H2,(H,32,34);1-8,11,13,19,21-22H,9-10,12H2,(H,28,32);1-7,9-10,16,19H,8,11-12H2,(H,29,33)/t21-,24+;;16-,20+;19-,21-;16-,19+/m0.101/s1
InChIKeyRGVAYTOOCYKVNW-AVQVPZIBSA-N
XLogP20.13
TPSA463.02 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002690.49
LogP ≤ 520.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide 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

tris[[[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-1-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidin-1-ium-2-carbonyl]amino]methyl] phosphate
CID 122514826
tris[[[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-1-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidin-1-ium-2-carbonyl]amino]methyl] phosphate
CID 122514833
3-[2-cyclopropyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-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-[5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one
CID 157239655
3-[5-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;(1S,2S,5R)-3-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1S,5R)-2-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-2-azabicyclo[3.1.0]hexane-1-carboxamide;1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157282184
CID 157316872
CID 157316872
(2S,4R)-N-[[2-[2-amino-6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(1S,2S,5R)-N-[[2-cyano-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-N-[[2-[2-ethyl-6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 157340211
1-[(2S,4R)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]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;1-[(2S,4S)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(4-fluorophenyl)sulfonyl-2-methylazetidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one
CID 157347424
3-[5-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-(trifluoromethyl)phenyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[2,3-difluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-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-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;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;methane
CID 157371528
3-[2-cyclopropyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-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-[5-(trifluoromethyl)-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-[6-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one
CID 157372562
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
(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
3-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]-5-fluoro-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-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2R,3R)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(1R,3S,4S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(1R,3S,4S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2R)-1-(4-fluorophenyl)sulfonyl-2-[3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propanoyl]pyrrolidine-2-carbonitrile
CID 157521020

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 160622010) is (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is C[C@@]1(F)C[C@@H](C(=O)CCc2cc(F)cc(-c3cnc(C(F)(F)F)nc3)c2)N(S(=O)(=O)c2ccc(F)cc2)C1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)C1C2CC(CC2F)N1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2ccc(C(F)F)cc2)ncn1)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)cn2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RGVAYTOOCYKVNW-AVQVPZIBSA-N. The full InChI is InChI=1S/C25H21F6N3O3S.C25H21F5N4O3S.C23H18F6N4O3S.C23H20F4N4O3S.C22H18F5N5O3S/c1-24(28)11-21(34(14-24)38(36,37)20-5-3-18(26)4-6-20)22(35)7-2-15-8-16(10-19(27)9-15)17-12-32-23(33-13-17)25(29,30)31;26-15-2-5-18(6-3-15)38(36,37)34-17-10-19(20(27)11-17)24(34)22(35)7-4-16-9-21(33-13-32-16)14-1-8-23(31-12-14)25(28,29)30;24-15-2-4-17(5-3-15)37(35,36)33-12-16(25)8-20(33)22(34)32-9-14-7-13(1-6-18(14)26)19-10-31-21(11-30-19)23(27,28)29;24-16-5-7-18(8-6-16)35(33,34)31-10-9-19(25)21(31)23(32)28-12-17-11-20(30-13-29-17)14-1-3-15(4-2-14)22(26)27;23-15-1-3-18(4-2-15)36(34,35)32-12-16(24)8-19(32)20(33)29-11-17-7-13(5-6-28-17)14-9-30-21(31-10-14)22(25,26)27/h3-6,8-10,12-13,21H,2,7,11,14H2,1H3;1-3,5-6,8-9,12-13,17,19-20,24H,4,7,10-11H2;1-7,10-11,16,20H,8-9,12H2,(H,32,34);1-8,11,13,19,21-22H,9-10,12H2,(H,28,32);1-7,9-10,16,19H,8,11-12H2,(H,29,33)/t21-,24+;;16-,20+;19-,21-;16-,19+/m0.101/s1.
What are the key properties of (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2690.49 g/mol, XLogP of 20.13, 33 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[6-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).