1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one

C151H118F23N19O28S6 — CID 158221402

IUPAC1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2cnc(C(F)(F)F)cn2)ccn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H21F4N3O5S.C26H21F3N2O5S.C25H20F4N4O4S.2C25H19F4N3O5S.C24H18F4N4O4S/c27-18-5-10-24-17(12-18)13-25(37-24)39(35,36)33-11-1-2-22(33)23(34)9-6-19-14-21(32-15-31-19)16-3-7-20(8-4-16)38-26(28,29)30;27-26(28,29)18-6-7-19(23(33)15-18)20-13-16(9-11-30-20)5-8-22(32)21-10-12-31(21)37(34,35)25-14-17-3-1-2-4-24(17)36-25;26-17-3-6-22-16(10-17)12-24(37-22)38(35,36)33-9-1-2-20(33)21(34)5-4-18-11-15(7-8-30-18)19-13-32-23(14-31-19)25(27,28)29;26-17-3-8-23-16(11-17)12-24(36-23)38(34,35)32-10-9-21(32)22(33)7-4-18-13-20(31-14-30-18)15-1-5-19(6-2-15)37-25(27,28)29;26-16-2-6-23-14(9-16)10-24(37-23)38(35,36)32-8-7-20(32)21(33)5-3-17-12-19(31-13-30-17)18-4-1-15(11-22(18)34)25(27,28)29;25-16-2-6-22-14(9-16)10-23(36-22)37(34,35)32-8-7-20(32)21(33)5-3-17-11-19(31-13-30-17)18-4-1-15(12-29-18)24(26,27)28/h3-5,7-8,10,12-15,22H,1-2,6,9,11H2;1-4,6-7,9,11,13-15,21,33H,5,8,10,12H2;3,6-8,10-14,20H,1-2,4-5,9H2;1-3,5-6,8,11-14,21H,4,7,9-10H2;1-2,4,6,9-13,20,34H,3,5,7-8H2;1-2,4,6,9-13,20H,3,5,7-8H2
InChIKeyGDHBZBGYJBARCW-UHFFFAOYSA-N
MW3276.07 g/mol
LogP29.28
Rot. Bonds44

About 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one

1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one (PubChem CID 158221402) has the molecular formula C151H118F23N19O28S6 and a molecular weight of 3276.07 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
PubChem CID158221402
Molecular FormulaC151H118F23N19O28S6
Molecular Weight3276.07 g/mol
Exact Mass3273.64
IUPAC Name1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2cnc(C(F)(F)F)cn2)ccn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H21F4N3O5S.C26H21F3N2O5S.C25H20F4N4O4S.2C25H19F4N3O5S.C24H18F4N4O4S/c27-18-5-10-24-17(12-18)13-25(37-24)39(35,36)33-11-1-2-22(33)23(34)9-6-19-14-21(32-15-31-19)16-3-7-20(8-4-16)38-26(28,29)30;27-26(28,29)18-6-7-19(23(33)15-18)20-13-16(9-11-30-20)5-8-22(32)21-10-12-31(21)37(34,35)25-14-17-3-1-2-4-24(17)36-25;26-17-3-6-22-16(10-17)12-24(37-22)38(35,36)33-9-1-2-20(33)21(34)5-4-18-11-15(7-8-30-18)19-13-32-23(14-31-19)25(27,28)29;26-17-3-8-23-16(11-17)12-24(36-23)38(34,35)32-10-9-21(32)22(33)7-4-18-13-20(31-14-30-18)15-1-5-19(6-2-15)37-25(27,28)29;26-16-2-6-23-14(9-16)10-24(37-23)38(35,36)32-8-7-20(32)21(33)5-3-17-12-19(31-13-30-17)18-4-1-15(11-22(18)34)25(27,28)29;25-16-2-6-22-14(9-16)10-23(36-22)37(34,35)32-8-7-20(32)21(33)5-3-17-11-19(31-13-30-17)18-4-1-15(12-29-18)24(26,27)28/h3-5,7-8,10,12-15,22H,1-2,6,9,11H2;1-4,6-7,9,11,13-15,21,33H,5,8,10,12H2;3,6-8,10-14,20H,1-2,4-5,9H2;1-3,5-6,8,11-14,21H,4,7,9-10H2;1-2,4,6,9-13,20,34H,3,5,7-8H2;1-2,4,6,9-13,20H,3,5,7-8H2
InChIKeyGDHBZBGYJBARCW-UHFFFAOYSA-N
XLogP29.28
TPSA632.03 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003276.07
LogP ≤ 529.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

CID 157269859
CID 157269859
CID 157660747
CID 157660747
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one
CID 158221400
CID 158375074
CID 158375074
CID 158375081
CID 158375081
CID 158465726
CID 158465726
CID 158691213
CID 158691213
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;bis(1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one);1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
CID 159024383
CID 159687769
CID 159687769
CID 159856089
CID 159856089
3-[6-cyclopropyl-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]-1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]propan-1-one;1-[(3S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-2-azabicyclo[2.1.1]hexan-3-yl]-3-[5-methyl-2-(2-methylpyrimidin-5-yl)-4-pyridinyl]propan-1-one;1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]-3-[3-methyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]propan-1-one;1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]-3-[6-(2-methylpyrimidin-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-one
CID 160003431
CID 160008869
CID 160008869

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one (CID 158221402) is 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one is O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)C1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2cnc(C(F)(F)F)cn2)ccn1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCN1S(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one?
The InChIKey is GDHBZBGYJBARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N3O5S.C26H21F3N2O5S.C25H20F4N4O4S.2C25H19F4N3O5S.C24H18F4N4O4S/c27-18-5-10-24-17(12-18)13-25(37-24)39(35,36)33-11-1-2-22(33)23(34)9-6-19-14-21(32-15-31-19)16-3-7-20(8-4-16)38-26(28,29)30;27-26(28,29)18-6-7-19(23(33)15-18)20-13-16(9-11-30-20)5-8-22(32)21-10-12-31(21)37(34,35)25-14-17-3-1-2-4-24(17)36-25;26-17-3-6-22-16(10-17)12-24(37-22)38(35,36)33-9-1-2-20(33)21(34)5-4-18-11-15(7-8-30-18)19-13-32-23(14-31-19)25(27,28)29;26-17-3-8-23-16(11-17)12-24(36-23)38(34,35)32-10-9-21(32)22(33)7-4-18-13-20(31-14-30-18)15-1-5-19(6-2-15)37-25(27,28)29;26-16-2-6-23-14(9-16)10-24(37-23)38(35,36)32-8-7-20(32)21(33)5-3-17-12-19(31-13-30-17)18-4-1-15(11-22(18)34)25(27,28)29;25-16-2-6-22-14(9-16)10-23(36-22)37(34,35)32-8-7-20(32)21(33)5-3-17-11-19(31-13-30-17)18-4-1-15(12-29-18)24(26,27)28/h3-5,7-8,10,12-15,22H,1-2,6,9,11H2;1-4,6-7,9,11,13-15,21,33H,5,8,10,12H2;3,6-8,10-14,20H,1-2,4-5,9H2;1-3,5-6,8,11-14,21H,4,7,9-10H2;1-2,4,6,9-13,20,34H,3,5,7-8H2;1-2,4,6,9-13,20H,3,5,7-8H2.
What are the key properties of 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one?
1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one has a molecular weight of 3276.07 g/mol, XLogP of 29.28, 44 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158221402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).