3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)

C136H142Br8ClF8N35O15S7 — CID 158443055

About 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)

3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158443055) has the molecular formula C136H142Br8ClF8N35O15S7 and a molecular weight of 3558.00 g/mol. Its IUPAC name is 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 158443055
• Molecular Formula: C136H142Br8ClF8N35O15S7
• Molecular Weight: 3558.00 g/mol
• Exact Mass: 3547.25
• IUPAC Name: 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)
• SMILES: C=C(O)Cc1cccc(Sc2nc(Cl)c3c(Br)c(CC)[nH]c3n2)c1.CCOc1nc(Nc2nc(C(=O)O)cs2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2ccccc2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(SC)nc(CCC3OCCCO3)c2c1Br.CCc1[nH]c2nc(SC)nc(CCCNCCN3CCOCC3)c2c1Br.CCc1[nH]c2nc(SC)nc(CCCNCc3ccco3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4cccnc4n3)nc(N3CC(O)C3)c2c1Br.Fc1ccc(Oc2nc(Nc3cccnc3)nc3[nH]cc(Br)c23)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H16BrN7OS.C18H28BrN5OS.C17H15BrClN3OS.C17H10BrF2N5O.C17H21BrN4OS.C16H16BrN3OS.C15H20BrN3O2S.C14H14BrN5O3S.2C2HF3O2/c1-2-10-14(19)13-16(22-10)24-18(25-17(13)26-7-9(27)8-26)28-12-6-21-11-4-3-5-20-15(11)23-12;1-3-13-16(19)15-14(22-18(26-2)23-17(15)21-13)5-4-6-20-7-8-24-9-11-25-12-10-24;1-3-12-14(18)13-15(19)21-17(22-16(13)20-12)24-11-6-4-5-10(8-11)7-9(2)23;18-11-8-22-15-14(11)16(26-13-4-3-9(19)6-12(13)20)25-17(24-15)23-10-2-1-5-21-7-10;1-3-12-15(18)14-13(21-17(24-2)22-16(14)20-12)7-4-8-19-10-11-6-5-9-23-11;1-3-11-13(17)12-14(18-11)19-16(20-15(12)21-4-2)22-10-8-6-5-7-9-10;1-3-9-13(16)12-10(5-6-11-20-7-4-8-21-11)18-15(22-2)19-14(12)17-9;1-3-6-9(15)8-10(16-6)18-13(19-11(8)23-4-2)20-14-17-7(5-24-14)12(21)22;2*3-2(4,5)1(6)7/h3-6,9,27H,2,7-8H2,1H3,(H,22,24,25);20H,3-12H2,1-2H3,(H,21,22,23);4-6,8,23H,2-3,7H2,1H3,(H,20,21,22);1-8H,(H2,22,23,24,25);5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,20,21,22);5-9H,3-4H2,1-2H3,(H,18,19,20);11H,3-8H2,1-2H3,(H,17,18,19);5H,3-4H2,1-2H3,(H,21,22)(H2,16,17,18,19,20);2*(H,6,7)
• InChIKey: UXBRJUXQDLZBFS-UHFFFAOYSA-N
• XLogP: 34.14
• TPSA: 672.49 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3558.00
LogP ≤ 5	34.14
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) (CID 158443055) is 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) is C=C(O)Cc1cccc(Sc2nc(Cl)c3c(Br)c(CC)[nH]c3n2)c1.CCOc1nc(Nc2nc(C(=O)O)cs2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Sc2ccccc2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(SC)nc(CCC3OCCCO3)c2c1Br.CCc1[nH]c2nc(SC)nc(CCCNCCN3CCOCC3)c2c1Br.CCc1[nH]c2nc(SC)nc(CCCNCc3ccco3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4cccnc4n3)nc(N3CC(O)C3)c2c1Br.Fc1ccc(Oc2nc(Nc3cccnc3)nc3[nH]cc(Br)c23)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UXBRJUXQDLZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN7OS.C18H28BrN5OS.C17H15BrClN3OS.C17H10BrF2N5O.C17H21BrN4OS.C16H16BrN3OS.C15H20BrN3O2S.C14H14BrN5O3S.2C2HF3O2/c1-2-10-14(19)13-16(22-10)24-18(25-17(13)26-7-9(27)8-26)28-12-6-21-11-4-3-5-20-15(11)23-12;1-3-13-16(19)15-14(22-18(26-2)23-17(15)21-13)5-4-6-20-7-8-24-9-11-25-12-10-24;1-3-12-14(18)13-15(19)21-17(22-16(13)20-12)24-11-6-4-5-10(8-11)7-9(2)23;18-11-8-22-15-14(11)16(26-13-4-3-9(19)6-12(13)20)25-17(24-15)23-10-2-1-5-21-7-10;1-3-12-15(18)14-13(21-17(24-2)22-16(14)20-12)7-4-8-19-10-11-6-5-9-23-11;1-3-11-13(17)12-14(18-11)19-16(20-15(12)21-4-2)22-10-8-6-5-7-9-10;1-3-9-13(16)12-10(5-6-11-20-7-4-8-21-11)18-15(22-2)19-14(12)17-9;1-3-6-9(15)8-10(16-6)18-13(19-11(8)23-4-2)20-14-17-7(5-24-14)12(21)22;2*3-2(4,5)1(6)7/h3-6,9,27H,2,7-8H2,1H3,(H,22,24,25);20H,3-12H2,1-2H3,(H,21,22,23);4-6,8,23H,2-3,7H2,1H3,(H,20,21,22);1-8H,(H2,22,23,24,25);5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,20,21,22);5-9H,3-4H2,1-2H3,(H,18,19,20);11H,3-8H2,1-2H3,(H,17,18,19);5H,3-4H2,1-2H3,(H,21,22)(H2,16,17,18,19,20);2*(H,6,7).

What are the key properties of 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?

3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 3558.00 g/mol, XLogP of 34.14, 46 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(5-bromo-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]phenyl]prop-1-en-2-ol;5-bromo-4-(2,4-difluorophenoxy)-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-4-[2-(1,3-dioxan-2-yl)ethyl]-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-4-ethoxy-6-ethyl-2-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine;3-(5-bromo-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158443055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).