7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)

C129H125Cl6F15N46O11S6 — CID 157372898

About 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)

7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 157372898) has the molecular formula C129H125Cl6F15N46O11S6 and a molecular weight of 3185.82 g/mol. Its IUPAC name is 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 157372898
• Molecular Formula: C129H125Cl6F15N46O11S6
• Molecular Weight: 3185.82 g/mol
• Exact Mass: 3180.69
• IUPAC Name: 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)
• SMILES: CCc1[nH]c2nc(Sc3ccc[n+]([O-])c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CCNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CNCC43)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CNCC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(NC)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4CNCC43)c2c1Cl.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/3C21H21ClN8S.C20H19ClN8S.C20H21ClN8S.C16H17ClN6OS.5C2HF3O2/c1-2-13-17(22)16-19(27-13)28-21(29-20(16)30-6-3-11-8-23-10-15(11)30)31-12-7-14-18(26-9-12)25-5-4-24-14;1-2-14-17(22)16-19(27-14)28-21(29-20(16)30-9-11-6-23-7-12(11)10-30)31-13-5-15-18(26-8-13)25-4-3-24-15;1-2-13-17(22)16-19(27-13)28-21(29-20(16)30-9-11-3-4-23-15(11)10-30)31-12-7-14-18(26-8-12)25-6-5-24-14;1-2-12-16(21)15-18(26-12)27-20(28-19(15)29-9-10-6-22-8-14(10)29)30-11-5-13-17(25-7-11)24-4-3-23-13;1-3-13-16(21)15-18(26-13)27-20(28-19(15)29-7-4-11(10-29)22-2)30-12-8-14-17(25-9-12)24-6-5-23-14;1-2-11-13(17)12-14(19-11)20-16(21-15(12)22-6-9(18)7-22)25-10-4-3-5-23(24)8-10;5*3-2(4,5)1(6)7/h4-5,7,9,11,15,23H,2-3,6,8,10H2,1H3,(H,27,28,29);3-5,8,11-12,23H,2,6-7,9-10H2,1H3,(H,27,28,29);5-8,11,15,23H,2-4,9-10H2,1H3,(H,27,28,29);3-5,7,10,14,22H,2,6,8-9H2,1H3,(H,26,27,28);5-6,8-9,11,22H,3-4,7,10H2,1-2H3,(H,26,27,28);3-5,8-9H,2,6-7,18H2,1H3,(H,19,20,21);5*(H,6,7)
• InChIKey: OQBVPGRDWISMDT-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 761.82 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 51
• Rotatable Bonds: 25
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3185.82
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid) (CID 157372898) is 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid) is CCc1[nH]c2nc(Sc3ccc[n+]([O-])c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CCNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CNCC43)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC4CNCC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(NC)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4CNCC43)c2c1Cl.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 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)?

The InChIKey is OQBVPGRDWISMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H21ClN8S.C20H19ClN8S.C20H21ClN8S.C16H17ClN6OS.5C2HF3O2/c1-2-13-17(22)16-19(27-13)28-21(29-20(16)30-6-3-11-8-23-10-15(11)30)31-12-7-14-18(26-9-12)25-5-4-24-14;1-2-14-17(22)16-19(27-14)28-21(29-20(16)30-9-11-6-23-7-12(11)10-30)31-13-5-15-18(26-8-13)25-4-3-24-15;1-2-13-17(22)16-19(27-13)28-21(29-20(16)30-9-11-3-4-23-15(11)10-30)31-12-7-14-18(26-8-12)25-6-5-24-14;1-2-12-16(21)15-18(26-12)27-20(28-19(15)29-9-10-6-22-8-14(10)29)30-11-5-13-17(25-7-11)24-4-3-23-13;1-3-13-16(21)15-18(26-13)27-20(28-19(15)29-7-4-11(10-29)22-2)30-12-8-14-17(25-9-12)24-6-5-23-14;1-2-11-13(17)12-14(19-11)20-16(21-15(12)22-6-9(18)7-22)25-10-4-3-5-23(24)8-10;5*3-2(4,5)1(6)7/h4-5,7,9,11,15,23H,2-3,6,8,10H2,1H3,(H,27,28,29);3-5,8,11-12,23H,2,6-7,9-10H2,1H3,(H,27,28,29);5-8,11,15,23H,2-4,9-10H2,1H3,(H,27,28,29);3-5,7,10,14,22H,2,6,8-9H2,1H3,(H,26,27,28);5-6,8-9,11,22H,3-4,7,10H2,1-2H3,(H,26,27,28);3-5,8-9H,2,6-7,18H2,1H3,(H,19,20,21);5*(H,6,7).

What are the key properties of 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid)?

7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 3185.82 g/mol, XLogP of 22.05, 25 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;7-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;1-[5-chloro-6-ethyl-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157372898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).