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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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

C97H83F22N15O12S4 — CID 159176296

IUPAC1-[(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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ccn2)N1S(=O)(=O)c1ccccc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)c(F)c1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H21F6N3O3S.C24H19F7N4O3S.C24H21F5N4O3S.C24H22F4N4O3S/c1-14-19(27)11-22(34(14)38(36,37)18-6-4-17(26)5-7-18)23(35)8-2-15-10-21(32-13-20(15)28)16-3-9-24(33-12-16)25(29,30)31;1-12-17(26)8-21(35(12)39(37,38)15-3-4-16(25)18(27)7-15)22(36)5-2-13-6-20(32-11-19(13)28)14-9-33-23(34-10-14)24(29,30)31;1-14-18(25)10-21(33(14)37(35,36)17-5-3-2-4-6-17)22(34)8-7-15-9-20(30-13-19(15)26)16-11-31-23(32-12-16)24(27,28)29;1-15-20(25)12-21(32(15)36(34,35)19-5-3-2-4-6-19)22(33)8-7-18-11-16(9-10-29-18)17-13-30-23(31-14-17)24(26,27)28/h3-7,9-10,12-14,19,22H,2,8,11H2,1H3;3-4,6-7,9-12,17,21H,2,5,8H2,1H3;2-6,9,11-14,18,21H,7-8,10H2,1H3;2-6,9-11,13-15,20-21H,7-8,12H2,1H3/t14-,19+,22-;12-,17+,21-;14-,18+,21-;15-,20+,21-/m0000/s1
InChIKeyKMHZVVPXMBTEMJ-BEVWNJNSSA-N
MW2197.05 g/mol
LogP18.44
Rot. Bonds28

About 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 (PubChem CID 159176296) has the molecular formula C97H83F22N15O12S4 and a molecular weight of 2197.05 g/mol. Its IUPAC name is 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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.

Molecular Properties

Compound Name1-[(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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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
PubChem CID159176296
Molecular FormulaC97H83F22N15O12S4
Molecular Weight2197.05 g/mol
Exact Mass2195.49
IUPAC Name1-[(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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ccn2)N1S(=O)(=O)c1ccccc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)c(F)c1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H21F6N3O3S.C24H19F7N4O3S.C24H21F5N4O3S.C24H22F4N4O3S/c1-14-19(27)11-22(34(14)38(36,37)18-6-4-17(26)5-7-18)23(35)8-2-15-10-21(32-13-20(15)28)16-3-9-24(33-12-16)25(29,30)31;1-12-17(26)8-21(35(12)39(37,38)15-3-4-16(25)18(27)7-15)22(36)5-2-13-6-20(32-11-19(13)28)14-9-33-23(34-10-14)24(29,30)31;1-14-18(25)10-21(33(14)37(35,36)17-5-3-2-4-6-17)22(34)8-7-15-9-20(30-13-19(15)26)16-11-31-23(32-12-16)24(27,28)29;1-15-20(25)12-21(32(15)36(34,35)19-5-3-2-4-6-19)22(33)8-7-18-11-16(9-10-29-18)17-13-30-23(31-14-17)24(26,27)28/h3-7,9-10,12-14,19,22H,2,8,11H2,1H3;3-4,6-7,9-12,17,21H,2,5,8H2,1H3;2-6,9,11-14,18,21H,7-8,10H2,1H3;2-6,9-11,13-15,20-21H,7-8,12H2,1H3/t14-,19+,22-;12-,17+,21-;14-,18+,21-;15-,20+,21-/m0000/s1
InChIKeyKMHZVVPXMBTEMJ-BEVWNJNSSA-N
XLogP18.44
TPSA359.59 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002197.05
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 with MolForge

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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
1-[(2S,4R,5S)-4-fluoro-1-[(6-fluoro-3-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 146886594
1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 146925683
3-[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]propan-1-one
CID 147049298
1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 147162849
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
CID 147797862
3-[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(3S)-2-(3,4-difluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]propan-1-one
CID 147870976
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
CID 147975090
1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 148133770
3-[2-(difluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]propan-1-one
CID 148166084
1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 148456583

Frequently Asked Questions

What is the IUPAC name of 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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?
The IUPAC name of 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 (CID 159176296) is 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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.
What is the SMILES notation for 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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?
The canonical SMILES for 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 is C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ccn2)N1S(=O)(=O)c1ccccc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)c(F)c1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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?
The InChIKey is KMHZVVPXMBTEMJ-BEVWNJNSSA-N. The full InChI is InChI=1S/C25H21F6N3O3S.C24H19F7N4O3S.C24H21F5N4O3S.C24H22F4N4O3S/c1-14-19(27)11-22(34(14)38(36,37)18-6-4-17(26)5-7-18)23(35)8-2-15-10-21(32-13-20(15)28)16-3-9-24(33-12-16)25(29,30)31;1-12-17(26)8-21(35(12)39(37,38)15-3-4-16(25)18(27)7-15)22(36)5-2-13-6-20(32-11-19(13)28)14-9-33-23(34-10-14)24(29,30)31;1-14-18(25)10-21(33(14)37(35,36)17-5-3-2-4-6-17)22(34)8-7-15-9-20(30-13-19(15)26)16-11-31-23(32-12-16)24(27,28)29;1-15-20(25)12-21(32(15)36(34,35)19-5-3-2-4-6-19)22(33)8-7-18-11-16(9-10-29-18)17-13-30-23(31-14-17)24(26,27)28/h3-7,9-10,12-14,19,22H,2,8,11H2,1H3;3-4,6-7,9-12,17,21H,2,5,8H2,1H3;2-6,9,11-14,18,21H,7-8,10H2,1H3;2-6,9-11,13-15,20-21H,7-8,12H2,1H3/t14-,19+,22-;12-,17+,21-;14-,18+,21-;15-,20+,21-/m0000/s1.
What are the key properties of 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 has a molecular weight of 2197.05 g/mol, XLogP of 18.44, 28 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[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-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 is sourced from PubChem (CID 159176296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).