2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C142H135Cl2F18N27O16S8 — CID 159631968

IUPAC2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C(=O)O)c(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(Cl)c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1cnc(NS(=O)(=O)C(C)(C)C)nc1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(Cl)s1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cn[nH]c1C.Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(F)c(C)cc32)s1
InChIInChI=1S/C25H21ClF4N4O3S.C25H32FN5O3S.C25H31FN4O4S.C23H18F4N4O2S2.C22H15ClF4N4O2S2.C22H18F4N6O2S/c1-3-14-9-21-18(11-19(14)27)22(24(31)35)23(34(21)16-6-4-5-15(26)10-16)20-8-7-17(12-32-20)38(36,37)33-13(2)25(28,29)30;1-5-15-11-20-18(12-19(15)26)21(23(27)32)22(31(20)17-9-7-6-8-10-17)16-13-28-24(29-14-16)30-35(33,34)25(2,3)4;1-5-15-11-20-18(12-19(15)26)21(24(31)32)22(30(20)17-9-7-6-8-10-17)23-27-13-16(14-28-23)29-35(33,34)25(2,3)4;1-12-8-20-16(9-18(12)24)17(10-28)22(31(20)21-7-4-13(2)34-21)19-6-5-15(11-29-19)35(32,33)30-14(3)23(25,26)27;1-11-7-18-14(8-16(11)24)15(9-28)21(31(18)20-6-5-19(23)34-20)17-4-3-13(10-29-17)35(32,33)30-12(2)22(25,26)27;1-11-6-19-15(7-17(11)23)16(8-27)21(32(19)20-10-29-30-12(20)2)18-5-4-14(9-28-18)35(33,34)31-13(3)22(24,25)26/h4-13,33H,3H2,1-2H3,(H2,31,35);11-14,17H,5-10H2,1-4H3,(H2,27,32)(H,28,29,30);11-14,17,29H,5-10H2,1-4H3,(H,31,32);4-9,11,14,30H,1-3H3;3-8,10,12,30H,1-2H3;4-7,9-10,13,31H,1-3H3,(H,29,30)/t;;;14-;12-;13-/m...000/s1
InChIKeyMPFWGFDFWWTTBH-GFIZMRGUSA-N
MW3145.22 g/mol
LogP31.70
Rot. Bonds34

About 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159631968) has the molecular formula C142H135Cl2F18N27O16S8 and a molecular weight of 3145.22 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID159631968
Molecular FormulaC142H135Cl2F18N27O16S8
Molecular Weight3145.22 g/mol
Exact Mass3141.74
IUPAC Name2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C(=O)O)c(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(Cl)c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1cnc(NS(=O)(=O)C(C)(C)C)nc1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(Cl)s1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cn[nH]c1C.Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(F)c(C)cc32)s1
InChIInChI=1S/C25H21ClF4N4O3S.C25H32FN5O3S.C25H31FN4O4S.C23H18F4N4O2S2.C22H15ClF4N4O2S2.C22H18F4N6O2S/c1-3-14-9-21-18(11-19(14)27)22(24(31)35)23(34(21)16-6-4-5-15(26)10-16)20-8-7-17(12-32-20)38(36,37)33-13(2)25(28,29)30;1-5-15-11-20-18(12-19(15)26)21(23(27)32)22(31(20)17-9-7-6-8-10-17)16-13-28-24(29-14-16)30-35(33,34)25(2,3)4;1-5-15-11-20-18(12-19(15)26)21(24(31)32)22(30(20)17-9-7-6-8-10-17)23-27-13-16(14-28-23)29-35(33,34)25(2,3)4;1-12-8-20-16(9-18(12)24)17(10-28)22(31(20)21-7-4-13(2)34-21)19-6-5-15(11-29-19)35(32,33)30-14(3)23(25,26)27;1-11-7-18-14(8-16(11)24)15(9-28)21(31(18)20-6-5-19(23)34-20)17-4-3-13(10-29-17)35(32,33)30-12(2)22(25,26)27;1-11-6-19-15(7-17(11)23)16(8-27)21(32(19)20-10-29-30-12(20)2)18-5-4-14(9-28-18)35(33,34)31-13(3)22(24,25)26/h4-13,33H,3H2,1-2H3,(H2,31,35);11-14,17H,5-10H2,1-4H3,(H2,27,32)(H,28,29,30);11-14,17,29H,5-10H2,1-4H3,(H,31,32);4-9,11,14,30H,1-3H3;3-8,10,12,30H,1-2H3;4-7,9-10,13,31H,1-3H3,(H,29,30)/t;;;14-;12-;13-/m...000/s1
InChIKeyMPFWGFDFWWTTBH-GFIZMRGUSA-N
XLogP31.70
TPSA633.25 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.22
LogP ≤ 531.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 159918352
6-[1-(5-chloropyrimidin-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopropyl-6-ethyl-5-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(1-hydroxyethyl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(6-methylpyrazin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;5-fluoro-6-methyl-1-pyridazin-3-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-fluoro-6-methyl-1-pyridin-3-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 160483276

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159631968) is 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C(=O)O)c(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(Cl)c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1cnc(NS(=O)(=O)C(C)(C)C)nc1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(Cl)s1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cn[nH]c1C.Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(F)c(C)cc32)s1.
What is the InChIKey of 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is MPFWGFDFWWTTBH-GFIZMRGUSA-N. The full InChI is InChI=1S/C25H21ClF4N4O3S.C25H32FN5O3S.C25H31FN4O4S.C23H18F4N4O2S2.C22H15ClF4N4O2S2.C22H18F4N6O2S/c1-3-14-9-21-18(11-19(14)27)22(24(31)35)23(34(21)16-6-4-5-15(26)10-16)20-8-7-17(12-32-20)38(36,37)33-13(2)25(28,29)30;1-5-15-11-20-18(12-19(15)26)21(23(27)32)22(31(20)17-9-7-6-8-10-17)16-13-28-24(29-14-16)30-35(33,34)25(2,3)4;1-5-15-11-20-18(12-19(15)26)21(24(31)32)22(30(20)17-9-7-6-8-10-17)23-27-13-16(14-28-23)29-35(33,34)25(2,3)4;1-12-8-20-16(9-18(12)24)17(10-28)22(31(20)21-7-4-13(2)34-21)19-6-5-15(11-29-19)35(32,33)30-14(3)23(25,26)27;1-11-7-18-14(8-16(11)24)15(9-28)21(31(18)20-6-5-19(23)34-20)17-4-3-13(10-29-17)35(32,33)30-12(2)22(25,26)27;1-11-6-19-15(7-17(11)23)16(8-27)21(32(19)20-10-29-30-12(20)2)18-5-4-14(9-28-18)35(33,34)31-13(3)22(24,25)26/h4-13,33H,3H2,1-2H3,(H2,31,35);11-14,17H,5-10H2,1-4H3,(H2,27,32)(H,28,29,30);11-14,17,29H,5-10H2,1-4H3,(H,31,32);4-9,11,14,30H,1-3H3;3-8,10,12,30H,1-2H3;4-7,9-10,13,31H,1-3H3,(H,29,30)/t;;;14-;12-;13-/m...000/s1.
What are the key properties of 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 3145.22 g/mol, XLogP of 31.70, 34 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159631968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).