5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C146H170N46O24S3 — CID 164993823

IUPAC5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C37H44N12O6.C37H43N11O6S.C36H42N12O6S.C36H41N11O6S/c1-45-19-24(14-40-45)41-33-31(32(38)51)39-15-29(43-33)47-10-2-3-23(20-47)42-34(52)22-8-11-46(12-9-22)16-21-17-48(18-21)25-4-5-26-27(13-25)37(55)49(36(26)54)28-6-7-30(50)44-35(28)53;1-20-13-30(55-44-20)43-33-31(32(38)50)39-15-28(41-33)46-10-2-3-23(19-46)40-34(51)22-8-11-45(12-9-22)16-21-17-47(18-21)24-4-5-25-26(14-24)37(54)48(36(25)53)27-6-7-29(49)42-35(27)52;1-20-13-29(55-43-20)42-32-30(31(37)50)38-15-27(40-32)46-8-2-3-22(19-46)39-36(54)45-11-9-44(10-12-45)16-21-17-47(18-21)23-4-5-24-25(14-23)35(53)48(34(24)52)26-6-7-28(49)41-33(26)51;1-19-11-29(54-43-19)42-32-30(31(37)49)38-13-27(40-32)45-9-2-3-22(18-45)39-33(50)21-8-10-44(17-21)14-20-15-46(16-20)23-4-5-24-25(12-23)36(53)47(35(24)52)26-6-7-28(48)41-34(26)51/h4-5,13-15,19,21-23,28H,2-3,6-12,16-18,20H2,1H3,(H2,38,51)(H,41,43)(H,42,52)(H,44,50,53);4-5,13-15,21-23,27H,2-3,6-12,16-19H2,1H3,(H2,38,50)(H,40,51)(H,41,43)(H,42,49,52);4-5,13-15,21-22,26H,2-3,6-12,16-19H2,1H3,(H2,37,50)(H,39,54)(H,40,42)(H,41,49,51);4-5,11-13,20-22,26H,2-3,6-10,14-18H2,1H3,(H2,37,49)(H,39,50)(H,40,42)(H,41,48,51)/t23-,28?;23-,27?;22-,26?;21?,22-,26?/m1111/s1
InChIKeyHGJUPXJPGSCJQF-TYBINABGSA-N
MW3049.46 g/mol
LogP3.75
Rot. Bonds39

About 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 164993823) has the molecular formula C146H170N46O24S3 and a molecular weight of 3049.46 g/mol. Its IUPAC name is 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID164993823
Molecular FormulaC146H170N46O24S3
Molecular Weight3049.46 g/mol
Exact Mass3047.27
IUPAC Name5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C37H44N12O6.C37H43N11O6S.C36H42N12O6S.C36H41N11O6S/c1-45-19-24(14-40-45)41-33-31(32(38)51)39-15-29(43-33)47-10-2-3-23(20-47)42-34(52)22-8-11-46(12-9-22)16-21-17-48(18-21)25-4-5-26-27(13-25)37(55)49(36(26)54)28-6-7-30(50)44-35(28)53;1-20-13-30(55-44-20)43-33-31(32(38)50)39-15-28(41-33)46-10-2-3-23(19-46)40-34(51)22-8-11-45(12-9-22)16-21-17-47(18-21)24-4-5-25-26(14-24)37(54)48(36(25)53)27-6-7-29(49)42-35(27)52;1-20-13-29(55-43-20)42-32-30(31(37)50)38-15-27(40-32)46-8-2-3-22(19-46)39-36(54)45-11-9-44(10-12-45)16-21-17-47(18-21)23-4-5-24-25(14-23)35(53)48(34(24)52)26-6-7-28(49)41-33(26)51;1-19-11-29(54-43-19)42-32-30(31(37)49)38-13-27(40-32)45-9-2-3-22(18-45)39-33(50)21-8-10-44(17-21)14-20-15-46(16-20)23-4-5-24-25(12-23)36(53)47(35(24)52)26-6-7-28(48)41-34(26)51/h4-5,13-15,19,21-23,28H,2-3,6-12,16-18,20H2,1H3,(H2,38,51)(H,41,43)(H,42,52)(H,44,50,53);4-5,13-15,21-23,27H,2-3,6-12,16-19H2,1H3,(H2,38,50)(H,40,51)(H,41,43)(H,42,49,52);4-5,13-15,21-22,26H,2-3,6-12,16-19H2,1H3,(H2,37,50)(H,39,54)(H,40,42)(H,41,49,51);4-5,11-13,20-22,26H,2-3,6-10,14-18H2,1H3,(H2,37,49)(H,39,50)(H,40,42)(H,41,48,51)/t23-,28?;23-,27?;22-,26?;21?,22-,26?/m1111/s1
InChIKeyHGJUPXJPGSCJQF-TYBINABGSA-N
XLogP3.75
TPSA872.81 Ų
H-Bond Donors16
H-Bond Acceptors56
Rotatable Bonds39
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003049.46
LogP ≤ 53.75
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 164993823) is 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)sn1.Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)cn1.
What is the InChIKey of 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is HGJUPXJPGSCJQF-TYBINABGSA-N. The full InChI is InChI=1S/C37H44N12O6.C37H43N11O6S.C36H42N12O6S.C36H41N11O6S/c1-45-19-24(14-40-45)41-33-31(32(38)51)39-15-29(43-33)47-10-2-3-23(20-47)42-34(52)22-8-11-46(12-9-22)16-21-17-48(18-21)25-4-5-26-27(13-25)37(55)49(36(26)54)28-6-7-30(50)44-35(28)53;1-20-13-30(55-44-20)43-33-31(32(38)50)39-15-28(41-33)46-10-2-3-23(19-46)40-34(51)22-8-11-45(12-9-22)16-21-17-47(18-21)24-4-5-25-26(14-24)37(54)48(36(25)53)27-6-7-29(49)42-35(27)52;1-20-13-29(55-43-20)42-32-30(31(37)50)38-15-27(40-32)46-8-2-3-22(19-46)39-36(54)45-11-9-44(10-12-45)16-21-17-47(18-21)23-4-5-24-25(14-23)35(53)48(34(24)52)26-6-7-28(49)41-33(26)51;1-19-11-29(54-43-19)42-32-30(31(37)49)38-13-27(40-32)45-9-2-3-22(18-45)39-33(50)21-8-10-44(17-21)14-20-15-46(16-20)23-4-5-24-25(12-23)36(53)47(35(24)52)26-6-7-28(48)41-34(26)51/h4-5,13-15,19,21-23,28H,2-3,6-12,16-18,20H2,1H3,(H2,38,51)(H,41,43)(H,42,52)(H,44,50,53);4-5,13-15,21-23,27H,2-3,6-12,16-19H2,1H3,(H2,38,50)(H,40,51)(H,41,43)(H,42,49,52);4-5,13-15,21-22,26H,2-3,6-12,16-19H2,1H3,(H2,37,50)(H,39,54)(H,40,42)(H,41,49,51);4-5,11-13,20-22,26H,2-3,6-10,14-18H2,1H3,(H2,37,49)(H,39,50)(H,40,42)(H,41,48,51)/t23-,28?;23-,27?;22-,26?;21?,22-,26?/m1111/s1.
What are the key properties of 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 3049.46 g/mol, XLogP of 3.75, 39 rotatable bonds, 16 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 164993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).