7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

C178H172Cl8F24N70O19S8 — CID 161361885

About 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (PubChem CID 161361885) has the molecular formula C178H172Cl8F24N70O19S8 and a molecular weight of 4591.92 g/mol. Its IUPAC name is 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

Molecular Properties

• Compound Name: 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• PubChem CID: 161361885
• Molecular Formula: C178H172Cl8F24N70O19S8
• Molecular Weight: 4591.92 g/mol
• Exact Mass: 4584.95
• IUPAC Name: 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• SMILES: CC(=O)C(F)(F)F.CCCC(=O)NCC1CN(c2nc(Sc3cnc4nccnc4c3)nc3[nH]c(CC)c(Cl)c23)C1.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(OCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(OCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(OCc3cccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN=C(N)N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N=C(N)N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](N(C)C)C3)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.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H25ClN8OS.C21H20ClN9OS.C21H18ClN9OS.C21H23ClN8S.C20H19ClN10OS.C20H21ClN10S.C19H19ClN10S.C16H17ClN6S.C3H3F3O.7C2HF3O2/c1-3-5-17(33)27-9-13-11-32(12-13)22-18-19(24)15(4-2)29-21(18)30-23(31-22)34-14-8-16-20(28-10-14)26-7-6-25-16;1-3-13-16(22)15-19(28-13)29-21(30-20(15)32-7-6-31-5-4-24-10-31)33-12-8-14-17(25-9-12)18(23)27-11(2)26-14;1-2-12-15(22)14-18(27-12)30-21(31-19(14)32-9-10-4-3-5-25-7-10)33-11-6-13-16(26-8-11)17(23)29-20(24)28-13;1-4-14-17(22)16-19(26-14)27-21(28-20(16)30-8-5-12(11-30)29(2)3)31-13-9-15-18(25-10-13)24-7-6-23-15;1-2-11-14(21)13-17(26-11)29-20(30-18(13)32-6-5-31-4-3-24-9-31)33-10-7-12-15(25-8-10)16(22)28-19(23)27-12;1-2-12-15(21)14-17(28-12)29-20(30-18(14)31-8-10(9-31)6-27-19(22)23)32-11-5-13-16(26-7-11)25-4-3-24-13;1-2-11-14(20)13-16(27-11)28-19(29-17(13)30-7-9(8-30)26-18(21)22)31-10-5-12-15(25-6-10)24-4-3-23-12;1-2-11-13(17)12-14(20-11)21-16(24-10-4-3-5-19-6-10)22-15(12)23-7-9(18)8-23;1-2(7)3(4,5)6;7*3-2(4,5)1(6)7/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,27,33)(H,29,30,31);4-5,8-10H,3,6-7H2,1-2H3,(H2,23,26,27)(H,28,29,30);3-8H,2,9H2,1H3,(H,27,30,31)(H4,23,24,28,29);6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,26,27,28);3-4,7-9H,2,5-6H2,1H3,(H,26,29,30)(H4,22,23,27,28);3-5,7,10H,2,6,8-9H2,1H3,(H4,22,23,27)(H,28,29,30);3-6,9H,2,7-8H2,1H3,(H4,21,22,26)(H,27,28,29);3-6,9H,2,7-8,18H2,1H3,(H,20,21,22);1H3;7*(H,6,7)/t;;;12-;;;;;;;;;;;;/m...0............/s1
• InChIKey: PUJLEHFYVYJZAA-PKEFTATQSA-N
• XLogP: 31.49
• TPSA: 1303.99 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 77
• Rotatable Bonds: 48
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4591.92
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	77

Frequently Asked Questions

What is the IUPAC name of 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The IUPAC name of 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (CID 161361885) is 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

What is the SMILES notation for 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The canonical SMILES for 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.CCCC(=O)NCC1CN(c2nc(Sc3cnc4nccnc4c3)nc3[nH]c(CC)c(Cl)c23)C1.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(OCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(OCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(OCc3cccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN=C(N)N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N=C(N)N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](N(C)C)C3)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.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The InChIKey is PUJLEHFYVYJZAA-PKEFTATQSA-N. The full InChI is InChI=1S/C23H25ClN8OS.C21H20ClN9OS.C21H18ClN9OS.C21H23ClN8S.C20H19ClN10OS.C20H21ClN10S.C19H19ClN10S.C16H17ClN6S.C3H3F3O.7C2HF3O2/c1-3-5-17(33)27-9-13-11-32(12-13)22-18-19(24)15(4-2)29-21(18)30-23(31-22)34-14-8-16-20(28-10-14)26-7-6-25-16;1-3-13-16(22)15-19(28-13)29-21(30-20(15)32-7-6-31-5-4-24-10-31)33-12-8-14-17(25-9-12)18(23)27-11(2)26-14;1-2-12-15(22)14-18(27-12)30-21(31-19(14)32-9-10-4-3-5-25-7-10)33-11-6-13-16(26-8-11)17(23)29-20(24)28-13;1-4-14-17(22)16-19(26-14)27-21(28-20(16)30-8-5-12(11-30)29(2)3)31-13-9-15-18(25-10-13)24-7-6-23-15;1-2-11-14(21)13-17(26-11)29-20(30-18(13)32-6-5-31-4-3-24-9-31)33-10-7-12-15(25-8-10)16(22)28-19(23)27-12;1-2-12-15(21)14-17(28-12)29-20(30-18(14)31-8-10(9-31)6-27-19(22)23)32-11-5-13-16(26-7-11)25-4-3-24-13;1-2-11-14(20)13-16(27-11)28-19(29-17(13)30-7-9(8-30)26-18(21)22)31-10-5-12-15(25-6-10)24-4-3-23-12;1-2-11-13(17)12-14(20-11)21-16(24-10-4-3-5-19-6-10)22-15(12)23-7-9(18)8-23;1-2(7)3(4,5)6;7*3-2(4,5)1(6)7/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,27,33)(H,29,30,31);4-5,8-10H,3,6-7H2,1-2H3,(H2,23,26,27)(H,28,29,30);3-8H,2,9H2,1H3,(H,27,30,31)(H4,23,24,28,29);6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,26,27,28);3-4,7-9H,2,5-6H2,1H3,(H,26,29,30)(H4,22,23,27,28);3-5,7,10H,2,6,8-9H2,1H3,(H4,22,23,27)(H,28,29,30);3-6,9H,2,7-8H2,1H3,(H4,21,22,26)(H,27,28,29);3-6,9H,2,7-8,18H2,1H3,(H,20,21,22);1H3;7*(H,6,7)/t;;;12-;;;;;;;;;;;;/m...0............/s1.

What are the key properties of 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one has a molecular weight of 4591.92 g/mol, XLogP of 31.49, 48 rotatable bonds, 26 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-[[5-chloro-6-ethyl-4-(2-imidazol-1-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;7-[[5-chloro-6-ethyl-4-(pyridin-3-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;2-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]guanidine;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]butanamide;2-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]guanidine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine;heptakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 161361885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).