N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C123H121F9N22O13S5 — CID 160756391

IUPACN-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cn3)n(C3CCC3)c2c1.CCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)nc3)n(-c3ccc(F)cc3)c2c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.[2H]C([2H])([2H])c1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@]([2H])(C)C(F)(F)F)cn1)n2-c1ncccn1
InChIInChI=1S/C26H26F2N4O3S.C26H27FN4O3S.C25H23FN4O2S.C24H29FN4O3S.C22H16F4N6O2S/c1-5-15-12-19(28)22-20(13-15)32(18-9-7-17(27)8-10-18)24(23(22)25(29)33)16-6-11-21(30-14-16)31-36(34,35)26(2,3)4;1-5-16-13-22-19(14-20(16)27)23(25(28)32)24(31(22)17-9-7-6-8-10-17)21-12-11-18(15-29-21)35(33,34)30-26(2,3)4;1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4;1-5-14-11-17(25)20-19(12-14)29(16-7-6-8-16)22(21(20)23(26)30)18-10-9-15(13-27-18)28-33(31,32)24(2,3)4;1-12-8-19-15(9-17(12)23)16(10-27)20(32(19)21-28-6-3-7-29-21)18-5-4-14(11-30-18)35(33,34)31-13(2)22(24,25)26/h6-14H,5H2,1-4H3,(H2,29,33)(H,30,31);6-15,30H,5H2,1-4H3,(H2,28,32);5-13,15,29H,1-4H3;9-13,16,28H,5-8H2,1-4H3,(H2,26,30);3-9,11,13,31H,1-2H3/t;;;;13-/m....0/s1/i;;;;1D3,13D
InChIKeyRXMJOHDEKXQUFT-DPESISEISA-N
MW2450.80 g/mol
LogP23.63
Rot. Bonds28

About N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 160756391) has the molecular formula C123H121F9N22O13S5 and a molecular weight of 2450.80 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID160756391
Molecular FormulaC123H121F9N22O13S5
Molecular Weight2450.80 g/mol
Exact Mass2448.82
IUPAC NameN-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cn3)n(C3CCC3)c2c1.CCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)nc3)n(-c3ccc(F)cc3)c2c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.[2H]C([2H])([2H])c1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@]([2H])(C)C(F)(F)F)cn1)n2-c1ncccn1
InChIInChI=1S/C26H26F2N4O3S.C26H27FN4O3S.C25H23FN4O2S.C24H29FN4O3S.C22H16F4N6O2S/c1-5-15-12-19(28)22-20(13-15)32(18-9-7-17(27)8-10-18)24(23(22)25(29)33)16-6-11-21(30-14-16)31-36(34,35)26(2,3)4;1-5-16-13-22-19(14-20(16)27)23(25(28)32)24(31(22)17-9-7-6-8-10-17)21-12-11-18(15-29-21)35(33,34)30-26(2,3)4;1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4;1-5-14-11-17(25)20-19(12-14)29(16-7-6-8-16)22(21(20)23(26)30)18-10-9-15(13-27-18)28-33(31,32)24(2,3)4;1-12-8-19-15(9-17(12)23)16(10-27)20(32(19)21-28-6-3-7-29-21)18-5-4-14(11-30-18)35(33,34)31-13(2)22(24,25)26/h6-14H,5H2,1-4H3,(H2,29,33)(H,30,31);6-15,30H,5H2,1-4H3,(H2,28,32);5-13,15,29H,1-4H3;9-13,16,28H,5-8H2,1-4H3,(H2,26,30);3-9,11,13,31H,1-2H3/t;;;;13-/m....0/s1/i;;;;1D3,13D
InChIKeyRXMJOHDEKXQUFT-DPESISEISA-N
XLogP23.63
TPSA522.58 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002450.80
LogP ≤ 523.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-cyclopropylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-cyclopropylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-cyclopropyl-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-ethyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-ethyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-ethyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 157073330
N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 157148321
6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide;6-[3-cyano-6-fluoro-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157167151
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-fluoro-6-methyl-1-(6-methyl-2-pyridinyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 157322733
N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate
CID 157328966
1-Cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 157468159
4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]-N-tert-butylbenzenesulfonamide;N-[4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]phenyl]-2-methylpropane-2-sulfonamide;4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;6-[3-cyano-1-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157607176
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
CID 157708815
CID 157708815
2-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157734296
1-(3-chloro-2-pyridinyl)-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-[3-cyano-5-fluoro-6-methyl-1-(4-methyl-1,3-thiazol-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-ethyl-5-fluoro-1-pyridin-3-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-ethyl-5-fluoro-1-pyrimidin-4-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 157761040

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 160756391) is N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cn3)n(C3CCC3)c2c1.CCc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)nc3)n(-c3ccc(F)cc3)c2c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.[2H]C([2H])([2H])c1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@]([2H])(C)C(F)(F)F)cn1)n2-c1ncccn1.
What is the InChIKey of N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is RXMJOHDEKXQUFT-DPESISEISA-N. The full InChI is InChI=1S/C26H26F2N4O3S.C26H27FN4O3S.C25H23FN4O2S.C24H29FN4O3S.C22H16F4N6O2S/c1-5-15-12-19(28)22-20(13-15)32(18-9-7-17(27)8-10-18)24(23(22)25(29)33)16-6-11-21(30-14-16)31-36(34,35)26(2,3)4;1-5-16-13-22-19(14-20(16)27)23(25(28)32)24(31(22)17-9-7-6-8-10-17)21-12-11-18(15-29-21)35(33,34)30-26(2,3)4;1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4;1-5-14-11-17(25)20-19(12-14)29(16-7-6-8-16)22(21(20)23(26)30)18-10-9-15(13-27-18)28-33(31,32)24(2,3)4;1-12-8-19-15(9-17(12)23)16(10-27)20(32(19)21-28-6-3-7-29-21)18-5-4-14(11-30-18)35(33,34)31-13(2)22(24,25)26/h6-14H,5H2,1-4H3,(H2,29,33)(H,30,31);6-15,30H,5H2,1-4H3,(H2,28,32);5-13,15,29H,1-4H3;9-13,16,28H,5-8H2,1-4H3,(H2,26,30);3-9,11,13,31H,1-2H3/t;;;;13-/m....0/s1/i;;;;1D3,13D.
What are the key properties of N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2450.80 g/mol, XLogP of 23.63, 28 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-cyano-5-fluoro-6-methyl-1-phenylindol-2-yl)pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-6-ethyl-5-fluoro-1-phenylindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclobutyl-6-ethyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-ethyl-4-fluoro-1-(4-fluorophenyl)indole-3-carboxamide;6-[3-cyano-5-fluoro-1-pyrimidin-2-yl-6-(trideuteriomethyl)indol-2-yl]-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 160756391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).