tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)

C162H167Cl8F9N58O13S5 — CID 158342949

About tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)

tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) (PubChem CID 158342949) has the molecular formula C162H167Cl8F9N58O13S5 and a molecular weight of 3749.45 g/mol. Its IUPAC name is tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 158342949
• Molecular Formula: C162H167Cl8F9N58O13S5
• Molecular Weight: 3749.45 g/mol
• Exact Mass: 3743.02
• IUPAC Name: tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)
• SMILES: CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Cc3cccnc3)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(C(C)=O)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CCN(C(C)=O)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@H]3CN)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCc4nc(N)sc4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NCCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NC[C@H](C)O)c2c1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H27ClN6O2.C21H18ClN9S2.C21H20ClN9S.C20H21ClN8S.C19H21ClN6O2.C18H20ClN7O2.C18H18ClN7OS.C15H15ClN6O2.2C3H3F3O.C2HF3O2/c1-5-15-18(23)17-19(26-15)27-16(9-13-7-6-8-24-10-13)28-20(17)29-11-14(12-29)25-21(30)31-22(2,3)4;1-2-11-16(22)15-18(27-11)29-21(32-10-7-13-17(26-8-10)25-5-4-24-13)30-19(15)31-6-3-12-14(9-31)33-20(23)28-12;1-2-14-17(22)16-19(25-4-3-8-31-9-7-23-12-31)29-21(30-20(16)28-14)32-13-10-15-18(27-11-13)26-6-5-24-15;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-4-11(29)9-22)30-12-8-14-17(25-10-12)24-6-5-23-14;1-3-14-16(20)15-17(22-14)23-19(28-13-5-4-6-21-11-13)24-18(15)26-9-7-25(8-10-26)12(2)27;1-3-13-15(19)14-16(22-13)23-18(28-12-8-20-10-21-9-12)24-17(14)26-6-4-25(5-7-26)11(2)27;1-3-11-14(19)13-16(22-7-9(2)27)25-18(26-17(13)24-11)28-10-6-12-15(23-8-10)21-5-4-20-12;1-2-10-12(16)11-13(19-10)20-15(24-9-3-17-7-18-4-9)21-14(11)22-5-8(23)6-22;2*1-2(7)3(4,5)6;3-2(4,5)1(6)7/h6-8,10,14H,5,9,11-12H2,1-4H3,(H,25,30)(H,26,27,28);4-5,7-8H,2-3,6,9H2,1H3,(H2,23,28)(H,27,29,30);5-7,9-12H,2-4,8H2,1H3,(H2,25,28,29,30);5-6,8,10-11H,2-4,7,9,22H2,1H3,(H,26,27,28);4-6,11H,3,7-10H2,1-2H3,(H,22,23,24);8-10H,3-7H2,1-2H3,(H,22,23,24);4-6,8-9,27H,3,7H2,1-2H3,(H2,22,24,25,26);3-4,7-8,23H,2,5-6H2,1H3,(H,19,20,21);2*1H3;(H,6,7)/t;;;11-;;;9-;;;;/m...0..0..../s1
• InChIKey: DNKZRAKOJFKOME-NVSLDFKSSA-N
• XLogP: 29.85
• TPSA: 909.37 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 64
• Rotatable Bonds: 40
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3749.45
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	64

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) (CID 158342949) is tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Cc3cccnc3)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(C(C)=O)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CCN(C(C)=O)CC3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@H]3CN)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCc4nc(N)sc4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NCCCn3ccnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NC[C@H](C)O)c2c1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is DNKZRAKOJFKOME-NVSLDFKSSA-N. The full InChI is InChI=1S/C22H27ClN6O2.C21H18ClN9S2.C21H20ClN9S.C20H21ClN8S.C19H21ClN6O2.C18H20ClN7O2.C18H18ClN7OS.C15H15ClN6O2.2C3H3F3O.C2HF3O2/c1-5-15-18(23)17-19(26-15)27-16(9-13-7-6-8-24-10-13)28-20(17)29-11-14(12-29)25-21(30)31-22(2,3)4;1-2-11-16(22)15-18(27-11)29-21(32-10-7-13-17(26-8-10)25-5-4-24-13)30-19(15)31-6-3-12-14(9-31)33-20(23)28-12;1-2-14-17(22)16-19(25-4-3-8-31-9-7-23-12-31)29-21(30-20(16)28-14)32-13-10-15-18(27-11-13)26-6-5-24-15;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-4-11(29)9-22)30-12-8-14-17(25-10-12)24-6-5-23-14;1-3-14-16(20)15-17(22-14)23-19(28-13-5-4-6-21-11-13)24-18(15)26-9-7-25(8-10-26)12(2)27;1-3-13-15(19)14-16(22-13)23-18(28-12-8-20-10-21-9-12)24-17(14)26-6-4-25(5-7-26)11(2)27;1-3-11-14(19)13-16(22-7-9(2)27)25-18(26-17(13)24-11)28-10-6-12-15(23-8-10)21-5-4-20-12;1-2-10-12(16)11-13(19-10)20-15(24-9-3-17-7-18-4-9)21-14(11)22-5-8(23)6-22;2*1-2(7)3(4,5)6;3-2(4,5)1(6)7/h6-8,10,14H,5,9,11-12H2,1-4H3,(H,25,30)(H,26,27,28);4-5,7-8H,2-3,6,9H2,1H3,(H2,23,28)(H,27,29,30);5-7,9-12H,2-4,8H2,1H3,(H2,25,28,29,30);5-6,8,10-11H,2-4,7,9,22H2,1H3,(H,26,27,28);4-6,11H,3,7-10H2,1-2H3,(H,22,23,24);8-10H,3-7H2,1-2H3,(H,22,23,24);4-6,8-9,27H,3,7H2,1-2H3,(H2,22,24,25,26);3-4,7-8,23H,2,5-6H2,1H3,(H,19,20,21);2*1H3;(H,6,7)/t;;;11-;;;9-;;;;/m...0..0..../s1.

What are the key properties of tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 3749.45 g/mol, XLogP of 29.85, 40 rotatable bonds, 16 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;5-chloro-6-ethyl-N-(3-imidazol-1-ylpropyl)-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(5-chloro-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;(2S)-1-[(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;1-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;1-[4-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 158342949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).