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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

C138H133Cl8F9N50O7S7 — CID 158927733

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (PubChem CID 158927733) has the molecular formula C138H133Cl8F9N50O7S7 and a molecular weight of 3283.00 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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• PubChem CID: 158927733
• Molecular Formula: C138H133Cl8F9N50O7S7
• Molecular Weight: 3283.00 g/mol
• Exact Mass: 3276.70
• 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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• SMILES: CC(=O)C(F)(F)F.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(N3CC4CNC4C3)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/C22H23ClN8S.C22H19ClN8S.C20H19ClN8S.C20H21ClN8S.C18H13ClN8S.C17H18Cl2N6OS2.C12H15ClN4O.C3H3F3O.2C2HF3O2/c1-2-14-17(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;1-2-12-16(21)15-18(26-12)27-20(28-19(15)29-8-10-6-24-14(10)9-29)30-11-5-13-17(25-7-11)23-4-3-22-13;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;1-2-11-14(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;1-2(7)3(4,5)6;2*3-2(4,5)1(6)7/h7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30);4-11H,3,12H2,1-2H3,(H,28,29,30);3-5,7,10,14,24H,2,6,8-9H2,1H3,(H,26,27,28);5-6,9-11H,2-4,7-8,22H2,1H3,(H,26,27,28);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);1H3;2*(H,6,7)
• InChIKey: VMDXQXFLDKNWHE-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 752.45 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 55
• Rotatable Bonds: 29
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3283.00
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	55

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (CID 158927733) 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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.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(N3CC4CNC4C3)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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The InChIKey is VMDXQXFLDKNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8S.C22H19ClN8S.C20H19ClN8S.C20H21ClN8S.C18H13ClN8S.C17H18Cl2N6OS2.C12H15ClN4O.C3H3F3O.2C2HF3O2/c1-2-14-17(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;1-2-12-16(21)15-18(26-12)27-20(28-19(15)29-8-10-6-24-14(10)9-29)30-11-5-13-17(25-7-11)23-4-3-22-13;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;1-2-11-14(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;1-2(7)3(4,5)6;2*3-2(4,5)1(6)7/h7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30);4-11H,3,12H2,1-2H3,(H,28,29,30);3-5,7,10,14,24H,2,6,8-9H2,1H3,(H,26,27,28);5-6,9-11H,2-4,7-8,22H2,1H3,(H,26,27,28);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);1H3;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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one has a molecular weight of 3283.00 g/mol, XLogP of 27.44, 29 rotatable bonds, 14 hydrogen bond donors, and 55 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-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;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;bis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 158927733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).