19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C139H171B2Br3F10N30O24 — CID 158092131

About 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158092131) has the molecular formula C139H171B2Br3F10N30O24 and a molecular weight of 3097.40 g/mol. Its IUPAC name is 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158092131
• Molecular Formula: C139H171B2Br3F10N30O24
• Molecular Weight: 3097.40 g/mol
• Exact Mass: 3093.07
• IUPAC Name: 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.C.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)OC(CF)c2cc(F)ccc2C1=O.Nc1ncc(Br)cc1OC(CF)c1cc(F)ccc1C(=O)OBr.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)O)c2)c(CN(C)C(=O)OC(C)(C)C)nn1C.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)O)c2)c(CNC)nn1C.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)OC)c2)c(CN(C)C(=O)OC(C)(C)C)nn1C.[C-]#[N+]c1c(Br)c(CN(C)C(=O)OC(C)(C)C)nn1C
• InChI: InChI=1S/C27H30F2N6O5.C26H28F2N6O5.C21H20F2N6O3.C21H18F2N6O2.C14H10Br2F2N2O3.C12H24B2O4.C12H17BrN4O2.6CH4/c1-27(2,3)40-26(37)34(5)14-19-22(24(31-4)35(6)33-19)15-10-20(23(30)32-13-15)39-21(12-28)18-11-16(29)8-9-17(18)25(36)38-7;1-26(2,3)39-25(37)33(5)13-18-21(23(30-4)34(6)32-18)14-9-19(22(29)31-12-14)38-20(11-27)17-10-15(28)7-8-16(17)24(35)36;1-25-10-15-18(20(26-2)29(3)28-15)11-6-16(19(24)27-9-11)32-17(8-22)14-7-12(23)4-5-13(14)21(30)31;1-28-10-15-19(16(8-24)29(2)27-15)11-5-17(20(25)26-9-11)31-18(7-22)14-6-12(23)3-4-13(14)21(28)30;15-7-3-11(13(19)20-6-7)22-12(5-17)10-4-8(18)1-2-9(10)14(21)23-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2,3)19-11(18)16(5)7-8-9(13)10(14-4)17(6)15-8;;;;;;/h8-11,13,21H,12,14H2,1-3,5-7H3,(H2,30,32);7-10,12,20H,11,13H2,1-3,5-6H3,(H2,29,31)(H,35,36);4-7,9,17,25H,8,10H2,1,3H3,(H2,24,27)(H,30,31);3-6,9,18H,7,10H2,1-2H3,(H2,25,26);1-4,6,12H,5H2,(H2,19,20);1-8H3;7H2,1-3,5-6H3;6*1H4
• InChIKey: FOFRREMMJYABGD-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 656.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 33
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3097.40
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158092131) is 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.C.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)OC(CF)c2cc(F)ccc2C1=O.Nc1ncc(Br)cc1OC(CF)c1cc(F)ccc1C(=O)OBr.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)O)c2)c(CN(C)C(=O)OC(C)(C)C)nn1C.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)O)c2)c(CNC)nn1C.[C-]#[N+]c1c(-c2cnc(N)c(OC(CF)c3cc(F)ccc3C(=O)OC)c2)c(CN(C)C(=O)OC(C)(C)C)nn1C.[C-]#[N+]c1c(Br)c(CN(C)C(=O)OC(C)(C)C)nn1C.

What is the InChIKey of 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FOFRREMMJYABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O5.C26H28F2N6O5.C21H20F2N6O3.C21H18F2N6O2.C14H10Br2F2N2O3.C12H24B2O4.C12H17BrN4O2.6CH4/c1-27(2,3)40-26(37)34(5)14-19-22(24(31-4)35(6)33-19)15-10-20(23(30)32-13-15)39-21(12-28)18-11-16(29)8-9-17(18)25(36)38-7;1-26(2,3)39-25(37)33(5)13-18-21(23(30-4)34(6)32-18)14-9-19(22(29)31-12-14)38-20(11-27)17-10-15(28)7-8-16(17)24(35)36;1-25-10-15-18(20(26-2)29(3)28-15)11-6-16(19(24)27-9-11)32-17(8-22)14-7-12(23)4-5-13(14)21(30)31;1-28-10-15-19(16(8-24)29(2)27-15)11-5-17(20(25)26-9-11)31-18(7-22)14-6-12(23)3-4-13(14)21(28)30;15-7-3-11(13(19)20-6-7)22-12(5-17)10-4-8(18)1-2-9(10)14(21)23-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2,3)19-11(18)16(5)7-8-9(13)10(14-4)17(6)15-8;;;;;;/h8-11,13,21H,12,14H2,1-3,5-7H3,(H2,30,32);7-10,12,20H,11,13H2,1-3,5-6H3,(H2,29,31)(H,35,36);4-7,9,17,25H,8,10H2,1,3H3,(H2,24,27)(H,30,31);3-6,9,18H,7,10H2,1-2H3,(H2,25,26);1-4,6,12H,5H2,(H2,19,20);1-8H3;7H2,1-3,5-6H3;6*1H4.

What are the key properties of 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3097.40 g/mol, XLogP of 29.21, 33 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 19-amino-13-fluoro-16-(fluoromethyl)-4,8-dimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoic acid;bromo 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]-2-fluoroethyl]-4-fluorobenzoate;tert-butyl N-[(4-bromo-5-isocyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;methyl 2-[1-[[2-amino-5-[5-isocyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]-2-fluoroethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).