(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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

C94H74F21N17O12S4 — CID 161299645

IUPAC(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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
SMILESO=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)nc2)c1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/3C24H19F5N4O3S.C22H17F6N5O3S/c25-17-2-4-18(5-3-17)37(35,36)33-12-15-8-19(15)21(33)22(34)30-9-14-7-13(1-6-20(14)26)16-10-31-23(32-11-16)24(27,28)29;25-18-2-4-19(5-3-18)37(35,36)33-8-7-17-10-23(17,33)22(34)32-11-15-9-14(1-6-20(15)26)16-12-30-21(31-13-16)24(27,28)29;25-18-1-3-20(4-2-18)37(35,36)33-6-5-17-10-23(17,33)22(34)32-11-14-7-15(9-19(26)8-14)16-12-30-21(31-13-16)24(27,28)29;23-14-1-3-16(4-2-14)37(35,36)33-11-15(24)6-19(33)20(34)30-7-12-5-18(29-10-17(12)25)13-8-31-21(32-9-13)22(26,27)28/h1-7,10-11,15,19,21H,8-9,12H2,(H,30,34);1-6,9,12-13,17H,7-8,10-11H2,(H,32,34);1-4,7-9,12-13,17H,5-6,10-11H2,(H,32,34);1-5,8-10,15,19H,6-7,11H2,(H,30,34)/t15-,19-,21-;2*17-,23+;15-,19+/m0111/s1
InChIKeyVHKXSMIKKUITCI-VPZLQGIRSA-N
MW2160.96 g/mol
LogP14.84
Rot. Bonds24

About (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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

(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 (PubChem CID 161299645) has the molecular formula C94H74F21N17O12S4 and a molecular weight of 2160.96 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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
PubChem CID161299645
Molecular FormulaC94H74F21N17O12S4
Molecular Weight2160.96 g/mol
Exact Mass2159.43
IUPAC Name(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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
SMILESO=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)nc2)c1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/3C24H19F5N4O3S.C22H17F6N5O3S/c25-17-2-4-18(5-3-17)37(35,36)33-12-15-8-19(15)21(33)22(34)30-9-14-7-13(1-6-20(14)26)16-10-31-23(32-11-16)24(27,28)29;25-18-2-4-19(5-3-18)37(35,36)33-8-7-17-10-23(17,33)22(34)32-11-15-9-14(1-6-20(15)26)16-12-30-21(31-13-16)24(27,28)29;25-18-1-3-20(4-2-18)37(35,36)33-6-5-17-10-23(17,33)22(34)32-11-14-7-15(9-19(26)8-14)16-12-30-21(31-13-16)24(27,28)29;23-14-1-3-16(4-2-14)37(35,36)33-11-15(24)6-19(33)20(34)30-7-12-5-18(29-10-17(12)25)13-8-31-21(32-9-13)22(26,27)28/h1-7,10-11,15,19,21H,8-9,12H2,(H,30,34);1-6,9,12-13,17H,7-8,10-11H2,(H,32,34);1-4,7-9,12-13,17H,5-6,10-11H2,(H,32,34);1-5,8-10,15,19H,6-7,11H2,(H,30,34)/t15-,19-,21-;2*17-,23+;15-,19+/m0111/s1
InChIKeyVHKXSMIKKUITCI-VPZLQGIRSA-N
XLogP14.84
TPSA381.93 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.96
LogP ≤ 514.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 with MolForge

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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
N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122514840
3-(4-fluorophenyl)sulfonyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122514956
(2S,5R)-N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 137409540
(1S,2S,5R)-N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 137409542
(1S,2S,5R)-3-(4-fluorophenyl)sulfonyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 137409546
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
1-[(1S,2S)-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157303311
(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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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?
The IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 161299645) is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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?
The canonical SMILES for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 is O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1F)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)nc2)c1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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?
The InChIKey is VHKXSMIKKUITCI-VPZLQGIRSA-N. The full InChI is InChI=1S/3C24H19F5N4O3S.C22H17F6N5O3S/c25-17-2-4-18(5-3-17)37(35,36)33-12-15-8-19(15)21(33)22(34)30-9-14-7-13(1-6-20(14)26)16-10-31-23(32-11-16)24(27,28)29;25-18-2-4-19(5-3-18)37(35,36)33-8-7-17-10-23(17,33)22(34)32-11-15-9-14(1-6-20(15)26)16-12-30-21(31-13-16)24(27,28)29;25-18-1-3-20(4-2-18)37(35,36)33-6-5-17-10-23(17,33)22(34)32-11-14-7-15(9-19(26)8-14)16-12-30-21(31-13-16)24(27,28)29;23-14-1-3-16(4-2-14)37(35,36)33-11-15(24)6-19(33)20(34)30-7-12-5-18(29-10-17(12)25)13-8-31-21(32-9-13)22(26,27)28/h1-7,10-11,15,19,21H,8-9,12H2,(H,30,34);1-6,9,12-13,17H,7-8,10-11H2,(H,32,34);1-4,7-9,12-13,17H,5-6,10-11H2,(H,32,34);1-5,8-10,15,19H,6-7,11H2,(H,30,34)/t15-,19-,21-;2*17-,23+;15-,19+/m0111/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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?
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 has a molecular weight of 2160.96 g/mol, XLogP of 14.84, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;(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;(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 is sourced from PubChem (CID 161299645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).