1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

C158H152Cl9F6N59O6S8 — CID 157419346

About 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 157419346) has the molecular formula C158H152Cl9F6N59O6S8 and a molecular weight of 3662.96 g/mol. Its IUPAC name is 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 157419346
• Molecular Formula: C158H152Cl9F6N59O6S8
• Molecular Weight: 3662.96 g/mol
• Exact Mass: 3655.83
• IUPAC Name: 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCc1[nH]c2nc(C)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(-n3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N(C)Cc3cccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NCc4cccnc4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(N)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4(CCCN4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3nc(C(C)=O)c(Cl)s3)nc(N3CCC(N)C3)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H22ClN9S.C22H23ClN8S.C22H19ClN8S.C20H21ClN8S.C19H19ClN8S.C18H13ClN8S.C17H18Cl2N6OS2.C12H15ClN4O.2C2HF3O2/c1-2-17-20(25)19-22(31-17)32-24(35-16-8-18-21(30-11-16)28-7-6-27-18)33-23(19)34-12-15(13-34)29-10-14-4-3-5-26-9-14;1-2-14-17(23)16-19(28-14)29-21(32-13-10-15-18(26-11-13)25-8-7-24-15)30-20(16)31-9-5-22(12-31)4-3-6-27-22;1-3-15-18(23)17-20(28-15)29-22(30-21(17)31(2)12-13-5-4-6-24-10-13)32-14-9-16-19(27-11-14)26-8-7-25-16;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-11(22)4-8-29)30-12-9-14-17(25-10-12)24-6-5-23-14;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-6-5-20-9-27)28-10-7-12-15(23-8-10)22-4-3-21-12;1-3-9-11(18)10-14(21-9)23-16(24-15(10)25-5-4-8(20)6-25)28-17-22-12(7(2)26)13(19)27-17;1-3-8-10(13)9-11(16-8)14-6(2)15-12(9)17-4-7(18)5-17;2*3-2(4,5)1(6)7/h3-9,11,15,29H,2,10,12-13H2,1H3,(H,31,32,33);7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30);4-11H,3,12H2,1-2H3,(H,28,29,30);5-6,9-11H,2-4,7-8,22H2,1H3,(H,26,27,28);4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27);3-9H,2H2,1H3,(H,24,25,26);8H,3-6,20H2,1-2H3,(H,21,23,24);7,18H,3-5H2,1-2H3,(H,14,15,16);2*(H,6,7)
• InChIKey: INFHTJVEZXNAOT-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 857.77 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 63
• Rotatable Bonds: 36
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3662.96
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (CID 157419346) is 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is CCc1[nH]c2nc(C)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(-n3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N(C)Cc3cccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NCc4cccnc4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(N)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4(CCCN4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3nc(C(C)=O)c(Cl)s3)nc(N3CCC(N)C3)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is INFHTJVEZXNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN9S.C22H23ClN8S.C22H19ClN8S.C20H21ClN8S.C19H19ClN8S.C18H13ClN8S.C17H18Cl2N6OS2.C12H15ClN4O.2C2HF3O2/c1-2-17-20(25)19-22(31-17)32-24(35-16-8-18-21(30-11-16)28-7-6-27-18)33-23(19)34-12-15(13-34)29-10-14-4-3-5-26-9-14;1-2-14-17(23)16-19(28-14)29-21(32-13-10-15-18(26-11-13)25-8-7-24-15)30-20(16)31-9-5-22(12-31)4-3-6-27-22;1-3-15-18(23)17-20(28-15)29-22(30-21(17)31(2)12-13-5-4-6-24-10-13)32-14-9-16-19(27-11-14)26-8-7-25-16;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-11(22)4-8-29)30-12-9-14-17(25-10-12)24-6-5-23-14;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-6-5-20-9-27)28-10-7-12-15(23-8-10)22-4-3-21-12;1-3-9-11(18)10-14(21-9)23-16(24-15(10)25-5-4-8(20)6-25)28-17-22-12(7(2)26)13(19)27-17;1-3-8-10(13)9-11(16-8)14-6(2)15-12(9)17-4-7(18)5-17;2*3-2(4,5)1(6)7/h3-9,11,15,29H,2,10,12-13H2,1H3,(H,31,32,33);7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30);4-11H,3,12H2,1-2H3,(H,28,29,30);5-6,9-11H,2-4,7-8,22H2,1H3,(H,26,27,28);4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27);3-9H,2H2,1H3,(H,24,25,26);8H,3-6,20H2,1-2H3,(H,21,23,24);7,18H,3-5H2,1-2H3,(H,14,15,16);2*(H,6,7).

What are the key properties of 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?

1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 3662.96 g/mol, XLogP of 30.47, 36 rotatable bonds, 16 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-5-chloro-1,3-thiazol-4-yl]ethanone;7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[(5-chloro-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;5-chloro-6-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-chloro-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157419346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).