sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide

C170H196BrIN31NaO29 — CID 159423758

About sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide

sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide (PubChem CID 159423758) has the molecular formula C170H196BrIN31NaO29 and a molecular weight of 3367.42 g/mol. Its IUPAC name is sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide
• PubChem CID: 159423758
• Molecular Formula: C170H196BrIN31NaO29
• Molecular Weight: 3367.42 g/mol
• Exact Mass: 3364.29
• IUPAC Name: sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide
• SMILES: C#CCBr.C#CCOc1cc(C(C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C(C)C)on1.C#CCOc1cc(C(C(=O)O)C(C)C)on1.C#CCOc1cc(C(C(=O)OC)C(C)C)on1.COC(=O)C(c1cc(=O)[nH]o1)C(C)C.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(C#CCOc5cc(C(C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-n7ccnc7C)cc6)C(C)C)on5)nc4)C3)c2)c(N)nn1.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(I)nc4)C3)c2)c(N)nn1.Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1.[Na+].[OH-]
• InChI: InChI=1S/C59H64N12O7.C31H32IN7O2.C28H33N5O5.C17H22N4O2.C12H15NO4.C11H13NO4.C9H13NO4.C3H3Br.Na.H2O/c1-35(2)56(59(74)70-34-45(72)26-52(70)58(73)64-37(4)39-12-15-41(16-13-39)69-23-22-61-38(69)5)53-30-55(67-78-53)75-24-8-10-40-14-19-46(31-63-40)76-47-27-48(28-47)77-54-25-42(20-21-62-54)71-43-17-18-44(71)33-68(32-43)51-29-50(65-66-57(51)60)49-11-7-6-9-36(49)3;1-19-4-2-3-5-26(19)27-15-28(31(33)37-36-27)38-17-21-6-7-22(18-38)39(21)20-10-11-34-30(12-20)41-25-13-24(14-25)40-23-8-9-29(32)35-16-23;1-6-13-37-25-15-24(38-31-25)26(17(2)3)28(36)33-16-22(34)14-23(33)27(35)30-18(4)20-7-9-21(10-8-20)32-12-11-29-19(32)5;1-11(20-17(23)16-9-15(22)10-19-16)13-3-5-14(6-4-13)21-8-7-18-12(21)2;1-5-6-16-10-7-9(17-13-10)11(8(2)3)12(14)15-4;1-4-5-15-9-6-8(16-12-9)10(7(2)3)11(13)14;1-5(2)8(9(12)13-3)6-4-7(11)10-14-6;1-2-3-4;;/h6-7,9,11-16,19-23,25,29-31,35,37,43-45,47-48,52,56,72H,17-18,24,26-28,32-34H2,1-5H3,(H2,60,66)(H,64,73);2-5,8-12,15-16,21-22,24-25H,6-7,13-14,17-18H2,1H3,(H2,33,37);1,7-12,15,17-18,22-23,26,34H,13-14,16H2,2-5H3,(H,30,35);3-8,11,15-16,19,22H,9-10H2,1-2H3,(H,20,23);1,7-8,11H,6H2,2-4H3;1,6-7,10H,5H2,2-3H3,(H,13,14);4-5,8H,1-3H3,(H,10,11);1H,3H2;;1H2/q;;;;;;;;+1;/p-1/t37-,43?,44?,45+,47?,48?,52-,56?;;18-,22+,23-,26?;11-,15+,16-;;;;;;/m0.00....../s1
• InChIKey: LQBUHPXPORBDGN-RWDHFKMKSA-M
• XLogP: 18.11
• TPSA: 766.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 53
• Rotatable Bonds: 49
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3367.42
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide?

The IUPAC name of sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide (CID 159423758) is sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide.

What is the SMILES notation for sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide?

The canonical SMILES for sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide is C#CCBr.C#CCOc1cc(C(C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C(C)C)on1.C#CCOc1cc(C(C(=O)O)C(C)C)on1.C#CCOc1cc(C(C(=O)OC)C(C)C)on1.COC(=O)C(c1cc(=O)[nH]o1)C(C)C.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(C#CCOc5cc(C(C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-n7ccnc7C)cc6)C(C)C)on5)nc4)C3)c2)c(N)nn1.Cc1ccccc1-c1cc(N2CC3CCC(C2)N3c2ccnc(OC3CC(Oc4ccc(I)nc4)C3)c2)c(N)nn1.Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1.[Na+].[OH-].

What is the InChIKey of sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide?

The InChIKey is LQBUHPXPORBDGN-RWDHFKMKSA-M. The full InChI is InChI=1S/C59H64N12O7.C31H32IN7O2.C28H33N5O5.C17H22N4O2.C12H15NO4.C11H13NO4.C9H13NO4.C3H3Br.Na.H2O/c1-35(2)56(59(74)70-34-45(72)26-52(70)58(73)64-37(4)39-12-15-41(16-13-39)69-23-22-61-38(69)5)53-30-55(67-78-53)75-24-8-10-40-14-19-46(31-63-40)76-47-27-48(28-47)77-54-25-42(20-21-62-54)71-43-17-18-44(71)33-68(32-43)51-29-50(65-66-57(51)60)49-11-7-6-9-36(49)3;1-19-4-2-3-5-26(19)27-15-28(31(33)37-36-27)38-17-21-6-7-22(18-38)39(21)20-10-11-34-30(12-20)41-25-13-24(14-25)40-23-8-9-29(32)35-16-23;1-6-13-37-25-15-24(38-31-25)26(17(2)3)28(36)33-16-22(34)14-23(33)27(35)30-18(4)20-7-9-21(10-8-20)32-12-11-29-19(32)5;1-11(20-17(23)16-9-15(22)10-19-16)13-3-5-14(6-4-13)21-8-7-18-12(21)2;1-5-6-16-10-7-9(17-13-10)11(8(2)3)12(14)15-4;1-4-5-15-9-6-8(16-12-9)10(7(2)3)11(13)14;1-5(2)8(9(12)13-3)6-4-7(11)10-14-6;1-2-3-4;;/h6-7,9,11-16,19-23,25,29-31,35,37,43-45,47-48,52,56,72H,17-18,24,26-28,32-34H2,1-5H3,(H2,60,66)(H,64,73);2-5,8-12,15-16,21-22,24-25H,6-7,13-14,17-18H2,1H3,(H2,33,37);1,7-12,15,17-18,22-23,26,34H,13-14,16H2,2-5H3,(H,30,35);3-8,11,15-16,19,22H,9-10H2,1-2H3,(H,20,23);1,7-8,11H,6H2,2-4H3;1,6-7,10H,5H2,2-3H3,(H,13,14);4-5,8H,1-3H3,(H,10,11);1H,3H2;;1H2/q;;;;;;;;+1;/p-1/t37-,43?,44?,45+,47?,48?,52-,56?;;18-,22+,23-,26?;11-,15+,16-;;;;;;/m0.00....../s1.

What are the key properties of sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide?

sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide has a molecular weight of 3367.42 g/mol, XLogP of 18.11, 49 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2S,4R)-1-[2-[3-[3-[5-[3-[[4-[3-[3-amino-6-(2-methylphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-bromoprop-1-yne;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1-[3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;4-[8-[2-[3-[(6-iodo-3-pyridinyl)oxy]cyclobutyl]oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-(2-methylphenyl)pyridazin-3-amine;methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate;methyl 3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoate;3-methyl-2-(3-prop-2-ynoxy-1,2-oxazol-5-yl)butanoic acid;hydroxide is sourced from PubChem (CID 159423758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).