2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)

C128H115Cl6F9N52O10S7 — CID 159695750

IUPAC2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnc[nH]4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4csc(N)n4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCN(CCN)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(Oc3cccnc3)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN10OS2.C22H19ClN10OS.C21H24ClN9S.C20H14ClN7OS.C19H19ClN8OS.C18H17ClN8S.3C2HF3O2/c1-2-12-16(23)15-18(29-12)31-22(36-11-5-13-17(27-6-11)26-4-3-25-13)32-19(15)33-7-10(8-33)28-20(34)14-9-35-21(24)30-14;1-2-13-17(23)16-19(30-13)31-22(35-12-5-14-18(27-6-12)26-4-3-25-14)32-20(16)33-8-11(9-33)29-21(34)15-7-24-10-28-15;1-2-14-17(22)16-19(27-14)28-21(29-20(16)31-9-7-30(6-3-23)8-10-31)32-13-11-15-18(26-12-13)25-5-4-24-15;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-11-4-3-5-22-9-11)30-12-8-14-17(25-10-12)24-7-6-23-14;1-3-11-14(20)13-17(25-11)26-19(27-18(13)28-6-9(29)7-28)30-10-4-12-15(22-5-10)16(21)24-8(2)23-12;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-7-9(20)8-27)28-10-5-12-15(23-6-10)22-4-3-21-12;3*3-2(4,5)1(6)7/h3-6,9-10H,2,7-8H2,1H3,(H2,24,30)(H,28,34)(H,29,31,32);3-7,10-11H,2,8-9H2,1H3,(H,24,28)(H,29,34)(H,30,31,32);4-5,11-12H,2-3,6-10,23H2,1H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);4-5,9,29H,3,6-7H2,1-2H3,(H2,21,23,24)(H,25,26,27);3-6,9H,2,7-8,20H2,1H3,(H,24,25,26);3*(H,6,7)
InChIKeyCYWDIGNFWFGJOX-UHFFFAOYSA-N
MW3149.85 g/mol
LogP21.36
Rot. Bonds31

About 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)

2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 159695750) has the molecular formula C128H115Cl6F9N52O10S7 and a molecular weight of 3149.85 g/mol. Its IUPAC name is 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)
PubChem CID159695750
Molecular FormulaC128H115Cl6F9N52O10S7
Molecular Weight3149.85 g/mol
Exact Mass3144.61
IUPAC Name2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnc[nH]4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4csc(N)n4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCN(CCN)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(Oc3cccnc3)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN10OS2.C22H19ClN10OS.C21H24ClN9S.C20H14ClN7OS.C19H19ClN8OS.C18H17ClN8S.3C2HF3O2/c1-2-12-16(23)15-18(29-12)31-22(36-11-5-13-17(27-6-11)26-4-3-25-13)32-19(15)33-7-10(8-33)28-20(34)14-9-35-21(24)30-14;1-2-13-17(23)16-19(30-13)31-22(35-12-5-14-18(27-6-12)26-4-3-25-14)32-20(16)33-8-11(9-33)29-21(34)15-7-24-10-28-15;1-2-14-17(22)16-19(27-14)28-21(29-20(16)31-9-7-30(6-3-23)8-10-31)32-13-11-15-18(26-12-13)25-5-4-24-15;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-11-4-3-5-22-9-11)30-12-8-14-17(25-10-12)24-7-6-23-14;1-3-11-14(20)13-17(25-11)26-19(27-18(13)28-6-9(29)7-28)30-10-4-12-15(22-5-10)16(21)24-8(2)23-12;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-7-9(20)8-27)28-10-5-12-15(23-6-10)22-4-3-21-12;3*3-2(4,5)1(6)7/h3-6,9-10H,2,7-8H2,1H3,(H2,24,30)(H,28,34)(H,29,31,32);3-7,10-11H,2,8-9H2,1H3,(H,24,28)(H,29,34)(H,30,31,32);4-5,11-12H,2-3,6-10,23H2,1H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);4-5,9,29H,3,6-7H2,1-2H3,(H2,21,23,24)(H,25,26,27);3-6,9H,2,7-8,20H2,1H3,(H,24,25,26);3*(H,6,7)
InChIKeyCYWDIGNFWFGJOX-UHFFFAOYSA-N
XLogP21.36
TPSA858.98 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds31
Heavy Atoms212
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003149.85
LogP ≤ 521.36
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Analyze 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) (CID 159695750) is 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) is CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnc[nH]4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4csc(N)n4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCN(CCN)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(Oc3cccnc3)c2c1Cl.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 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is CYWDIGNFWFGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN10OS2.C22H19ClN10OS.C21H24ClN9S.C20H14ClN7OS.C19H19ClN8OS.C18H17ClN8S.3C2HF3O2/c1-2-12-16(23)15-18(29-12)31-22(36-11-5-13-17(27-6-11)26-4-3-25-13)32-19(15)33-7-10(8-33)28-20(34)14-9-35-21(24)30-14;1-2-13-17(23)16-19(30-13)31-22(35-12-5-14-18(27-6-12)26-4-3-25-14)32-20(16)33-8-11(9-33)29-21(34)15-7-24-10-28-15;1-2-14-17(22)16-19(27-14)28-21(29-20(16)31-9-7-30(6-3-23)8-10-31)32-13-11-15-18(26-12-13)25-5-4-24-15;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-11-4-3-5-22-9-11)30-12-8-14-17(25-10-12)24-7-6-23-14;1-3-11-14(20)13-17(25-11)26-19(27-18(13)28-6-9(29)7-28)30-10-4-12-15(22-5-10)16(21)24-8(2)23-12;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-7-9(20)8-27)28-10-5-12-15(23-6-10)22-4-3-21-12;3*3-2(4,5)1(6)7/h3-6,9-10H,2,7-8H2,1H3,(H2,24,30)(H,28,34)(H,29,31,32);3-7,10-11H,2,8-9H2,1H3,(H,24,28)(H,29,34)(H,30,31,32);4-5,11-12H,2-3,6-10,23H2,1H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);4-5,9,29H,3,6-7H2,1-2H3,(H2,21,23,24)(H,25,26,27);3-6,9H,2,7-8,20H2,1H3,(H,24,25,26);3*(H,6,7).
What are the key properties of 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)?
2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 3149.85 g/mol, XLogP of 21.36, 31 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-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]-1,3-thiazole-4-carboxamide;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;7-[(5-chloro-6-ethyl-4-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine;1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;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]-1H-imidazole-5-carboxamide;2-[4-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159695750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).