5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

C168H162Br10ClF21N44O26S13 — CID 159839384

About 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (PubChem CID 159839384) has the molecular formula C168H162Br10ClF21N44O26S13 and a molecular weight of 4863.75 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 159839384
• Molecular Formula: C168H162Br10ClF21N44O26S13
• Molecular Weight: 4863.75 g/mol
• Exact Mass: 4850.03
• IUPAC Name: 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• SMILES: CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(SC)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2nc(C(=O)O)cs2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2nc(C(=O)OC)cs2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCCn3ccnc3)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3OC)c2c1Br.CCc1[nH]c2nc(Sc3nc(C(=O)OC)cs3)[nH]c(=O)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H20BrN5OS.C19H20BrN7S.C16H18BrN5OS.C15H15BrN4O3S2.2C15H15BrN4OS.C14H13BrN4O3S2.C13H10BrClN4S.C13H11BrN4O3S2.C11H14BrN3OS.2C3H3F3O.5C2HF3O2/c1-3-15-18(22)17-19(24-11-13-7-4-5-9-16(13)28-2)26-21(27-20(17)25-15)29-14-8-6-10-23-12-14;1-2-14-16(20)15-17(23-7-4-9-27-10-8-22-12-27)25-19(26-18(15)24-14)28-13-5-3-6-21-11-13;1-3-11-13(17)12-14(19-7-9(2)23)21-16(22-15(12)20-11)24-10-5-4-6-18-8-10;1-4-7-10(16)9-11(17-7)19-14(20-12(9)23-5-2)25-15-18-8(6-24-15)13(21)22-3;2*1-3-10-12(16)11-13(18-10)19-15(20-14(11)21-4-2)22-9-6-5-7-17-8-9;1-3-6-9(15)8-10(16-6)18-13(19-11(8)22-4-2)24-14-17-7(5-23-14)12(20)21;1-2-8-10(14)9-11(15)18-13(19-12(9)17-8)20-7-4-3-5-16-6-7;1-3-5-8(14)7-9(15-5)17-12(18-10(7)19)23-13-16-6(4-22-13)11(20)21-2;1-4-6-8(12)7-9(13-6)14-11(17-3)15-10(7)16-5-2;2*1-2(7)3(4,5)6;5*3-2(4,5)1(6)7/h4-10,12H,3,11H2,1-2H3,(H2,24,25,26,27);3,5-6,8,10-12H,2,4,7,9H2,1H3,(H2,23,24,25,26);4-6,8-9,23H,3,7H2,1-2H3,(H2,19,20,21,22);6H,4-5H2,1-3H3,(H,17,19,20);2*5-8H,3-4H2,1-2H3,(H,18,19,20);5H,3-4H2,1-2H3,(H,20,21)(H,16,18,19);3-6H,2H2,1H3,(H,17,18,19);4H,3H2,1-2H3,(H2,15,17,18,19);4-5H2,1-3H3,(H,13,14,15);2*1H3;5*(H,6,7)/t;;9-;;;;;;;;;;;;;;/m..0............../s1
• InChIKey: WDWDYVRWJZZPIM-PVTYNYRYSA-N
• XLogP: 46.42
• TPSA: 991.74 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 66
• Rotatable Bonds: 54
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4863.75
LogP ≤ 5	46.42
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (CID 159839384) is 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(SC)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2nc(C(=O)O)cs2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2nc(C(=O)OC)cs2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCCn3ccnc3)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1Br.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3OC)c2c1Br.CCc1[nH]c2nc(Sc3nc(C(=O)OC)cs3)[nH]c(=O)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is WDWDYVRWJZZPIM-PVTYNYRYSA-N. The full InChI is InChI=1S/C21H20BrN5OS.C19H20BrN7S.C16H18BrN5OS.C15H15BrN4O3S2.2C15H15BrN4OS.C14H13BrN4O3S2.C13H10BrClN4S.C13H11BrN4O3S2.C11H14BrN3OS.2C3H3F3O.5C2HF3O2/c1-3-15-18(22)17-19(24-11-13-7-4-5-9-16(13)28-2)26-21(27-20(17)25-15)29-14-8-6-10-23-12-14;1-2-14-16(20)15-17(23-7-4-9-27-10-8-22-12-27)25-19(26-18(15)24-14)28-13-5-3-6-21-11-13;1-3-11-13(17)12-14(19-7-9(2)23)21-16(22-15(12)20-11)24-10-5-4-6-18-8-10;1-4-7-10(16)9-11(17-7)19-14(20-12(9)23-5-2)25-15-18-8(6-24-15)13(21)22-3;2*1-3-10-12(16)11-13(18-10)19-15(20-14(11)21-4-2)22-9-6-5-7-17-8-9;1-3-6-9(15)8-10(16-6)18-13(19-11(8)22-4-2)24-14-17-7(5-23-14)12(20)21;1-2-8-10(14)9-11(15)18-13(19-12(9)17-8)20-7-4-3-5-16-6-7;1-3-5-8(14)7-9(15-5)17-12(18-10(7)19)23-13-16-6(4-22-13)11(20)21-2;1-4-6-8(12)7-9(13-6)14-11(17-3)15-10(7)16-5-2;2*1-2(7)3(4,5)6;5*3-2(4,5)1(6)7/h4-10,12H,3,11H2,1-2H3,(H2,24,25,26,27);3,5-6,8,10-12H,2,4,7,9H2,1H3,(H2,23,24,25,26);4-6,8-9,23H,3,7H2,1-2H3,(H2,19,20,21,22);6H,4-5H2,1-3H3,(H,17,19,20);2*5-8H,3-4H2,1-2H3,(H,18,19,20);5H,3-4H2,1-2H3,(H,20,21)(H,16,18,19);3-6H,2H2,1H3,(H,17,18,19);4H,3H2,1-2H3,(H2,15,17,18,19);4-5H2,1-3H3,(H,13,14,15);2*1H3;5*(H,6,7)/t;;9-;;;;;;;;;;;;;;/m..0............../s1.

What are the key properties of 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 4863.75 g/mol, XLogP of 46.42, 54 rotatable bonds, 21 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;bis(5-bromo-4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine);2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylic acid;5-bromo-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-bromo-6-ethyl-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2S)-1-[(5-bromo-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;methyl 2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;methyl 2-[(5-bromo-6-ethyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3-thiazole-4-carboxylate;pentakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 159839384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).