4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione

C178H264N40O26 — CID 157351172

About 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione

4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 157351172) has the molecular formula C178H264N40O26 and a molecular weight of 3380.32 g/mol. Its IUPAC name is 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione
• PubChem CID: 157351172
• Molecular Formula: C178H264N40O26
• Molecular Weight: 3380.32 g/mol
• Exact Mass: 3378.06
• IUPAC Name: 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione
• SMILES: CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCNC(=O)CC(C)C(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCNCCC(C)C(=O)O)CC4)cc3C)c12
• InChI: InChI=1S/C38H56N8O6.C38H60N8O6.2C34H50N8O5.C34H48N8O4/c1-4-5-6-11-40-36-35-32(41-38(39)42-36)9-12-45(35)27-31-8-7-30(24-28(31)2)26-43-13-15-44(16-14-43)33(47)10-18-50-20-22-52-23-21-51-19-17-46-34(48)25-29(3)37(46)49;1-4-5-6-12-41-36-35-33(42-38(39)43-36)10-15-46(35)28-32-8-7-31(26-30(32)3)27-44-16-18-45(19-17-44)34(47)11-20-50-22-24-52-25-23-51-21-14-40-13-9-29(2)37(48)49;1-4-5-6-11-37-32-31-28(38-34(35)39-32)9-13-42(31)23-27-8-7-26(20-24(27)2)22-40-14-16-41(17-15-40)30(44)10-18-47-19-12-36-29(43)21-25(3)33(45)46;1-4-5-6-11-36-32-31-28(38-34(35)39-32)9-13-42(31)23-27-8-7-26(20-24(27)2)22-40-14-16-41(17-15-40)29(43)10-18-47-19-12-37-33(46)25(3)21-30(44)45;1-4-5-6-11-36-32-31-28(37-34(35)38-32)9-12-41(31)23-27-8-7-26(20-24(27)2)22-39-13-15-40(16-14-39)29(43)10-18-46-19-17-42-30(44)21-25(3)33(42)45/h7-9,12,24,29H,4-6,10-11,13-23,25-27H2,1-3H3,(H3,39,40,41,42);7-8,10,15,26,29,40H,4-6,9,11-14,16-25,27-28H2,1-3H3,(H,48,49)(H3,39,41,42,43);7-9,13,20,25H,4-6,10-12,14-19,21-23H2,1-3H3,(H,36,43)(H,45,46)(H3,35,37,38,39);7-9,13,20,25H,4-6,10-12,14-19,21-23H2,1-3H3,(H,37,46)(H,44,45)(H3,35,36,38,39);7-9,12,20,25H,4-6,10-11,13-19,21-23H2,1-3H3,(H3,35,36,37,38)
• InChIKey: BHNXMFZINQFHEZ-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 801.51 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 54
• Rotatable Bonds: 97
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3380.32
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione?

The IUPAC name of 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione (CID 157351172) is 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione.

What is the SMILES notation for 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione?

The canonical SMILES for 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione is CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCNC(=O)CC(C)C(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCNCCC(C)C(=O)O)CC4)cc3C)c12.

What is the InChIKey of 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione?

The InChIKey is BHNXMFZINQFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N8O6.C38H60N8O6.2C34H50N8O5.C34H48N8O4/c1-4-5-6-11-40-36-35-32(41-38(39)42-36)9-12-45(35)27-31-8-7-30(24-28(31)2)26-43-13-15-44(16-14-43)33(47)10-18-50-20-22-52-23-21-51-19-17-46-34(48)25-29(3)37(46)49;1-4-5-6-12-41-36-35-33(42-38(39)43-36)10-15-46(35)28-32-8-7-31(26-30(32)3)27-44-16-18-45(19-17-44)34(47)11-20-50-22-24-52-25-23-51-21-14-40-13-9-29(2)37(48)49;1-4-5-6-11-37-32-31-28(38-34(35)39-32)9-13-42(31)23-27-8-7-26(20-24(27)2)22-40-14-16-41(17-15-40)30(44)10-18-47-19-12-36-29(43)21-25(3)33(45)46;1-4-5-6-11-36-32-31-28(38-34(35)39-32)9-13-42(31)23-27-8-7-26(20-24(27)2)22-40-14-16-41(17-15-40)29(43)10-18-47-19-12-37-33(46)25(3)21-30(44)45;1-4-5-6-11-36-32-31-28(37-34(35)38-32)9-12-41(31)23-27-8-7-26(20-24(27)2)22-39-13-15-40(16-14-39)29(43)10-18-46-19-17-42-30(44)21-25(3)33(42)45/h7-9,12,24,29H,4-6,10-11,13-23,25-27H2,1-3H3,(H3,39,40,41,42);7-8,10,15,26,29,40H,4-6,9,11-14,16-25,27-28H2,1-3H3,(H,48,49)(H3,39,41,42,43);7-9,13,20,25H,4-6,10-12,14-19,21-23H2,1-3H3,(H,36,43)(H,45,46)(H3,35,37,38,39);7-9,13,20,25H,4-6,10-12,14-19,21-23H2,1-3H3,(H,37,46)(H,44,45)(H3,35,36,38,39);7-9,12,20,25H,4-6,10-11,13-19,21-23H2,1-3H3,(H3,35,36,37,38).

What are the key properties of 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione?

4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 3380.32 g/mol, XLogP of 17.13, 97 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-methylbutanoic acid;1-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 157351172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).