3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

C181H156Br2Cl2F24N20O43S — CID 158526681

About 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 158526681) has the molecular formula C181H156Br2Cl2F24N20O43S and a molecular weight of 4018.07 g/mol. Its IUPAC name is 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
• PubChem CID: 158526681
• Molecular Formula: C181H156Br2Cl2F24N20O43S
• Molecular Weight: 4018.07 g/mol
• Exact Mass: 4012.77
• IUPAC Name: 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
• SMILES: CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1N(CC(F)(F)CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)N(CC(F)(F)CN1C(=O)c2ccccc2C1=O)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Cl.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Cl)c2n(CC(F)(F)CN2C(=O)c3ccccc3C2=O)c1=O.N#CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(F)(F)CN3.NCC(F)(F)C(=O)O.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1CC(F)(F)C(=O)O.O=C1c2ccccc2C(=O)N1CC(F)(F)CO.O=C1c2ccccc2C(=O)N1CC(F)(F)COS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C32H31BrF3N3O6.C32H29ClF3N3O7.C29H21ClF3N3O6.C22H18F3N5O3.C21H24BrFN2O4.C12H8F5NO5S.C11H7F2NO4.C11H9F2NO3.C8H4O3.C3H5F2NO2/c1-18(2)44-29(42)25-26(24(33)20(15-37-25)14-19-10-12-21(34)13-11-19)38(30(43)45-31(3,4)5)16-32(35,36)17-39-27(40)22-8-6-7-9-23(22)28(39)41;1-4-45-25(41)14-24(40)38(16-32(35,36)17-39-29(42)22-7-5-6-8-23(22)30(39)43)28-26(33)20(13-19-9-11-21(34)12-10-19)15-37-27(28)31(44)46-18(2)3;1-2-42-28(41)20-24(37)22-23(21(30)16(12-34-22)11-15-7-9-17(31)10-8-15)35(27(20)40)13-29(32,33)14-36-25(38)18-5-3-4-6-19(18)26(36)39;23-14-4-2-12(3-5-14)8-13-9-28-17-18-16(13)29-10-22(24,25)11-30(18)21(33)15(19(17)31)20(32)27-7-1-6-26;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;13-11(14,6-23-24(21,22)12(15,16)17)5-18-9(19)7-3-1-2-4-8(7)10(18)20;12-11(13,10(17)18)5-14-8(15)6-3-1-2-4-7(6)9(14)16;12-11(13,6-15)5-14-9(16)7-3-1-2-4-8(7)10(14)17;9-7-5-3-1-2-4-6(5)8(10)11-7;4-3(5,1-6)2(7)8/h6-13,15,18H,14,16-17H2,1-5H3;5-12,15,18H,4,13-14,16-17H2,1-3H3;3-10,12,37H,2,11,13-14H2,1H3;2-5,9,29,31H,1,7-8,10-11H2,(H,27,32);6-9,11-12H,10H2,1-5H3,(H,25,27);1-4H,5-6H2;1-4H,5H2,(H,17,18);1-4,15H,5-6H2;1-4H;1,6H2,(H,7,8)
• InChIKey: HMWFRMSSQQZLOK-UHFFFAOYSA-N
• XLogP: 29.04
• TPSA: 865.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 52
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4018.07
LogP ≤ 5	29.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?

The IUPAC name of 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (CID 158526681) is 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.

What is the SMILES notation for 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?

The canonical SMILES for 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1N(CC(F)(F)CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)N(CC(F)(F)CN1C(=O)c2ccccc2C1=O)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Cl.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Cl)c2n(CC(F)(F)CN2C(=O)c3ccccc3C2=O)c1=O.N#CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(F)(F)CN3.NCC(F)(F)C(=O)O.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1CC(F)(F)C(=O)O.O=C1c2ccccc2C(=O)N1CC(F)(F)CO.O=C1c2ccccc2C(=O)N1CC(F)(F)COS(=O)(=O)C(F)(F)F.

What is the InChIKey of 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?

The InChIKey is HMWFRMSSQQZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrF3N3O6.C32H29ClF3N3O7.C29H21ClF3N3O6.C22H18F3N5O3.C21H24BrFN2O4.C12H8F5NO5S.C11H7F2NO4.C11H9F2NO3.C8H4O3.C3H5F2NO2/c1-18(2)44-29(42)25-26(24(33)20(15-37-25)14-19-10-12-21(34)13-11-19)38(30(43)45-31(3,4)5)16-32(35,36)17-39-27(40)22-8-6-7-9-23(22)28(39)41;1-4-45-25(41)14-24(40)38(16-32(35,36)17-39-29(42)22-7-5-6-8-23(22)30(39)43)28-26(33)20(13-19-9-11-21(34)12-10-19)15-37-27(28)31(44)46-18(2)3;1-2-42-28(41)20-24(37)22-23(21(30)16(12-34-22)11-15-7-9-17(31)10-8-15)35(27(20)40)13-29(32,33)14-36-25(38)18-5-3-4-6-19(18)26(36)39;23-14-4-2-12(3-5-14)8-13-9-28-17-18-16(13)29-10-22(24,25)11-30(18)21(33)15(19(17)31)20(32)27-7-1-6-26;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;13-11(14,6-23-24(21,22)12(15,16)17)5-18-9(19)7-3-1-2-4-8(7)10(18)20;12-11(13,10(17)18)5-14-8(15)6-3-1-2-4-7(6)9(14)16;12-11(13,6-15)5-14-9(16)7-3-1-2-4-8(7)10(14)17;9-7-5-3-1-2-4-6(5)8(10)11-7;4-3(5,1-6)2(7)8/h6-13,15,18H,14,16-17H2,1-5H3;5-12,15,18H,4,13-14,16-17H2,1-3H3;3-10,12,37H,2,11,13-14H2,1H3;2-5,9,29,31H,1,7-8,10-11H2,(H,27,32);6-9,11-12H,10H2,1-5H3,(H,25,27);1-4H,5-6H2;1-4H,5H2,(H,17,18);1-4,15H,5-6H2;1-4H;1,6H2,(H,7,8).

What are the key properties of 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?

3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 4018.07 g/mol, XLogP of 29.04, 52 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-difluoropropanoic acid;2-benzofuran-1,3-dione;N-(2-cyanoethyl)-12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide;2-(2,2-difluoro-3-hydroxypropyl)isoindole-1,3-dione;3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropanoic acid;[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate;ethyl 8-chloro-1-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 4-bromo-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-chloro-3-[[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 158526681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).