tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide

C153H174BBrClF12IN20O21S — CID 159297732

About tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide

tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide (PubChem CID 159297732) has the molecular formula C153H174BBrClF12IN20O21S and a molecular weight of 3142.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide
• PubChem CID: 159297732
• Molecular Formula: C153H174BBrClF12IN20O21S
• Molecular Weight: 3142.31 g/mol
• Exact Mass: 3139.07
• IUPAC Name: tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide
• SMILES: C1CCOC1.CC.CC(C)(O)C#Cc1ccc(-c2ccc(CN)nc2)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.CC(C)(O)C#Cc1ccc(Br)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.CC1(C)OB(c2ccc(CN)nc2)OC1(C)C.CCOC(=O)N=C=S.CCOC(=O)Nc1nnc2ccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](C)Cc3cc(F)cc(F)c3)cn12.CCOC(=O)Nc1nnc2ccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)cn12.C[n+]1ccccc1Cl.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.[I-]
• InChI: InChI=1S/C33H35F2N5O5.C30H33F2N3O3.C28H27F2N5O3.C24H26BrF2NO3.C12H19BN2O2.C10H8F4N2O2.C6H7ClN.C4H5NO2S.C4H8O.C2H6.HI/c1-7-44-31(42)37-30-39-38-27-11-8-21(19-40(27)30)26-10-9-25(12-13-33(5,6)43)36-29(26)22(17-28(41)45-32(2,3)4)14-20-15-23(34)18-24(35)16-20;1-29(2,3)38-27(36)15-21(12-19-13-22(31)16-23(32)14-19)28-26(20-6-7-25(17-33)34-18-20)9-8-24(35-28)10-11-30(4,5)37;1-5-38-27(36)32-26-34-33-24-9-6-19(16-35(24)26)23-8-7-22(10-11-28(3,4)37)31-25(23)17(2)12-18-13-20(29)15-21(30)14-18;1-23(2,3)31-21(29)13-16(10-15-11-17(26)14-18(27)12-15)22-20(25)7-6-19(28-22)8-9-24(4,5)30;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-8-5-3-2-4-6(8)7;1-2-7-4(6)5-3-8;1-2-4-5-3-1;1-2;/h8-11,15-16,18-19,22,43H,7,14,17H2,1-6H3,(H,37,39,42);6-9,13-14,16,18,21,37H,12,15,17,33H2,1-5H3;6-9,13-17,37H,5,12H2,1-4H3,(H,32,34,36);6-7,11-12,14,16,30H,10,13H2,1-5H3;5-6,8H,7,14H2,1-4H3;3-4,9H,1-2H2,(H,17,18);2-5H,1H3;2H2,1H3;1-4H2;1-2H3;1H/q;;;;;;+1;;;;/p-1/t22-;21-;17-;16-;;3-,4+;;;;;/m1101.0...../s1
• InChIKey: BCFBVCUQIPUWKE-BQMVCKEYSA-M
• XLogP: 25.48
• TPSA: 551.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3142.31
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide?

The IUPAC name of tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide (CID 159297732) is tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide.

What is the SMILES notation for tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide?

The canonical SMILES for tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide is C1CCOC1.CC.CC(C)(O)C#Cc1ccc(-c2ccc(CN)nc2)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.CC(C)(O)C#Cc1ccc(Br)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.CC1(C)OB(c2ccc(CN)nc2)OC1(C)C.CCOC(=O)N=C=S.CCOC(=O)Nc1nnc2ccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](C)Cc3cc(F)cc(F)c3)cn12.CCOC(=O)Nc1nnc2ccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)cn12.C[n+]1ccccc1Cl.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.[I-].

What is the InChIKey of tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide?

The InChIKey is BCFBVCUQIPUWKE-BQMVCKEYSA-M. The full InChI is InChI=1S/C33H35F2N5O5.C30H33F2N3O3.C28H27F2N5O3.C24H26BrF2NO3.C12H19BN2O2.C10H8F4N2O2.C6H7ClN.C4H5NO2S.C4H8O.C2H6.HI/c1-7-44-31(42)37-30-39-38-27-11-8-21(19-40(27)30)26-10-9-25(12-13-33(5,6)43)36-29(26)22(17-28(41)45-32(2,3)4)14-20-15-23(34)18-24(35)16-20;1-29(2,3)38-27(36)15-21(12-19-13-22(31)16-23(32)14-19)28-26(20-6-7-25(17-33)34-18-20)9-8-24(35-28)10-11-30(4,5)37;1-5-38-27(36)32-26-34-33-24-9-6-19(16-35(24)26)23-8-7-22(10-11-28(3,4)37)31-25(23)17(2)12-18-13-20(29)15-21(30)14-18;1-23(2,3)31-21(29)13-16(10-15-11-17(26)14-18(27)12-15)22-20(25)7-6-19(28-22)8-9-24(4,5)30;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-8-5-3-2-4-6(8)7;1-2-7-4(6)5-3-8;1-2-4-5-3-1;1-2;/h8-11,15-16,18-19,22,43H,7,14,17H2,1-6H3,(H,37,39,42);6-9,13-14,16,18,21,37H,12,15,17,33H2,1-5H3;6-9,13-17,37H,5,12H2,1-4H3,(H,32,34,36);6-7,11-12,14,16,30H,10,13H2,1-5H3;5-6,8H,7,14H2,1-4H3;3-4,9H,1-2H2,(H,17,18);2-5H,1H3;2H2,1H3;1-4H2;1-2H3;1H/q;;;;;;+1;;;;/p-1/t22-;21-;17-;16-;;3-,4+;;;;;/m1101.0...../s1.

What are the key properties of tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide?

tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide has a molecular weight of 3142.31 g/mol, XLogP of 25.48, 32 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[3-[6-(aminomethyl)-3-pyridinyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-[3-(ethoxycarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]butanoate;2-chloro-1-methylpyridin-1-ium;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;ethane;ethyl N-[6-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]carbamate;ethyl N-(sulfanylidenemethylidene)carbamate;oxolane;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanamine;iodide is sourced from PubChem (CID 159297732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).